# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67504157
_cell_length_b   24.45907721
_cell_length_c   51.02321801
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   12074.2663966
_cell_formula_units_Z   48
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.123476  0.189830  0.377269  1
  Fe  Fe2  1  0.123889  0.805210  0.339969  1
  Fe  Fe3  1  0.126305  0.422970  0.304276  1
  Fe  Fe4  1  0.382205  0.997828  0.359316  1
  Fe  Fe5  1  0.381696  0.613938  0.323015  1
  Fe  Fe6  1  0.380002  0.228165  0.286891  1
  Fe  Fe7  1  0.626305  0.922970  0.304276  1
  Fe  Fe8  1  0.623476  0.689830  0.377269  1
  Fe  Fe9  1  0.623889  0.305210  0.339969  1
  Fe  Fe10  1  0.881696  0.113938  0.323015  1
  Fe  Fe11  1  0.880002  0.728165  0.286891  1
  Fe  Fe12  1  0.882205  0.497828  0.359316  1
  Fe  Fe13  1  0.124244  0.341872  0.488802  1
  Fe  Fe14  1  0.124361  0.957653  0.451661  1
  Fe  Fe15  1  0.123649  0.573916  0.414754  1
  Fe  Fe16  1  0.380872  0.149832  0.470304  1
  Fe  Fe17  1  0.380807  0.765858  0.433163  1
  Fe  Fe18  1  0.380865  0.381430  0.396005  1
  Fe  Fe19  1  0.623649  0.073916  0.414754  1
  Fe  Fe20  1  0.624244  0.841872  0.488802  1
  Fe  Fe21  1  0.624361  0.457653  0.451661  1
  Fe  Fe22  1  0.880807  0.265858  0.433163  1
  Fe  Fe23  1  0.880865  0.881430  0.396005  1
  Fe  Fe24  1  0.880872  0.649832  0.470304  1
  Fe  Fe25  1  0.124129  0.494342  0.600183  1
  Fe  Fe26  1  0.124186  0.109915  0.563025  1
  Fe  Fe27  1  0.124121  0.725941  0.525884  1
  Fe  Fe28  1  0.381345  0.301857  0.581434  1
  Fe  Fe29  1  0.380633  0.918120  0.544527  1
  Fe  Fe30  1  0.380749  0.533901  0.507386  1
  Fe  Fe31  1  0.624121  0.225941  0.525884  1
  Fe  Fe32  1  0.624129  0.994342  0.600183  1
  Fe  Fe33  1  0.624186  0.609915  0.563025  1
  Fe  Fe34  1  0.880633  0.418120  0.544527  1
  Fe  Fe35  1  0.880749  0.033901  0.507386  1
  Fe  Fe36  1  0.881345  0.801857  0.581434  1
  Fe  Fe37  1  0.124991  0.647608  0.709297  1
  Fe  Fe38  1  0.123298  0.261834  0.673173  1
  Fe  Fe39  1  0.122788  0.877945  0.636872  1
  Fe  Fe40  1  0.378688  0.452803  0.691912  1
  Fe  Fe41  1  0.381104  0.070563  0.656219  1
  Fe  Fe42  1  0.381517  0.685943  0.618919  1
  Fe  Fe43  1  0.622788  0.377945  0.636872  1
  Fe  Fe44  1  0.624991  0.147608  0.709297  1
  Fe  Fe45  1  0.623298  0.761834  0.673173  1
  Fe  Fe46  1  0.881104  0.570563  0.656219  1
  Fe  Fe47  1  0.881517  0.185943  0.618919  1
  Fe  Fe48  1  0.878688  0.952803  0.691912  1
  P  P49  1  0.760003  0.962060  0.332821  1
  P  P50  1  0.750029  0.575027  0.296349  1
  P  P51  1  0.754582  0.344746  0.369343  1
  P  P52  1  0.990751  0.864567  0.320174  1
  P  P53  1  0.991842  0.482761  0.285038  1
  P  P54  1  0.988797  0.249123  0.358254  1
  P  P55  1  0.250395  0.885143  0.278558  1
  P  P56  1  0.247408  0.653870  0.351341  1
  P  P57  1  0.243943  0.269949  0.313685  1
  P  P58  1  0.015321  0.940569  0.376988  1
  P  P59  1  0.014936  0.557194  0.339986  1
  P  P60  1  0.012553  0.172803  0.302342  1
  P  P61  1  0.251199  0.956890  0.330480  1
  P  P62  1  0.260761  0.572055  0.292520  1
  P  P63  1  0.250801  0.341588  0.366633  1
  P  P64  1  0.755159  0.033863  0.385715  1
  P  P65  1  0.754772  0.649421  0.348168  1
  P  P66  1  0.749659  0.264425  0.309862  1
  P  P67  1  0.015359  0.054392  0.342061  1
  P  P68  1  0.014098  0.667070  0.303536  1
  P  P69  1  0.015490  0.437924  0.378103  1
  P  P70  1  0.006025  0.980926  0.287621  1
  P  P71  1  0.989702  0.746072  0.359188  1
  P  P72  1  0.990165  0.362824  0.322489  1
  P  P73  1  0.250029  0.075027  0.296349  1
  P  P74  1  0.254582  0.844746  0.369343  1
  P  P75  1  0.260003  0.462060  0.332821  1
  P  P76  1  0.491842  0.982761  0.285038  1
  P  P77  1  0.488797  0.749123  0.358254  1
  P  P78  1  0.490751  0.364567  0.320174  1
  P  P79  1  0.747408  0.153870  0.351341  1
  P  P80  1  0.743943  0.769949  0.313685  1
  P  P81  1  0.750395  0.385143  0.278558  1
  P  P82  1  0.514936  0.057194  0.339986  1
  P  P83  1  0.512553  0.672803  0.302342  1
  P  P84  1  0.515321  0.440569  0.376988  1
  P  P85  1  0.760761  0.072055  0.292520  1
  P  P86  1  0.750801  0.841588  0.366633  1
  P  P87  1  0.751199  0.456890  0.330480  1
  P  P88  1  0.254772  0.149421  0.348168  1
  P  P89  1  0.249659  0.764425  0.309862  1
  P  P90  1  0.255159  0.533863  0.385715  1
  P  P91  1  0.515490  0.937924  0.378103  1
  P  P92  1  0.515359  0.554392  0.342061  1
  P  P93  1  0.514098  0.167070  0.303536  1
  P  P94  1  0.490165  0.862824  0.322489  1
  P  P95  1  0.506025  0.480926  0.287621  1
  P  P96  1  0.489702  0.246072  0.359188  1
  P  P97  1  0.755285  0.113663  0.443902  1
  P  P98  1  0.754754  0.729417  0.406596  1
  P  P99  1  0.755163  0.497602  0.480899  1
  P  P100  1  0.990563  0.017207  0.432682  1
  P  P101  1  0.989907  0.633442  0.395718  1
  P  P102  1  0.990473  0.401353  0.469802  1
  P  P103  1  0.250305  0.037526  0.388443  1
  P  P104  1  0.249693  0.805633  0.462394  1
  P  P105  1  0.250052  0.421364  0.425260  1
  P  P106  1  0.014487  0.093373  0.488348  1
  P  P107  1  0.014320  0.709447  0.451320  1
  P  P108  1  0.014598  0.325157  0.414026  1
  P  P109  1  0.249492  0.110038  0.441145  1
  P  P110  1  0.249293  0.725981  0.404027  1
  P  P111  1  0.249848  0.493989  0.478160  1
  P  P112  1  0.755372  0.186079  0.496706  1
  P  P113  1  0.755256  0.801968  0.459583  1
  P  P114  1  0.755387  0.417673  0.422433  1
  P  P115  1  0.014522  0.206398  0.452230  1
  P  P116  1  0.014472  0.821909  0.415011  1
  P  P117  1  0.014530  0.590266  0.489289  1
  P  P118  1  0.990579  0.130676  0.396845  1
  P  P119  1  0.990554  0.898210  0.470700  1
  P  P120  1  0.990676  0.514112  0.433740  1
  P  P121  1  0.254754  0.229417  0.406596  1
  P  P122  1  0.255163  0.997602  0.480899  1
  P  P123  1  0.255285  0.613663  0.443902  1
  P  P124  1  0.489907  0.133442  0.395718  1
  P  P125  1  0.490473  0.901353  0.469802  1
  P  P126  1  0.490563  0.517207  0.432682  1
  P  P127  1  0.749693  0.305633  0.462394  1
  P  P128  1  0.750052  0.921364  0.425260  1
  P  P129  1  0.750305  0.537526  0.388443  1
  P  P130  1  0.514320  0.209447  0.451320  1
  P  P131  1  0.514598  0.825157  0.414026  1
  P  P132  1  0.514487  0.593373  0.488348  1
  P  P133  1  0.749293  0.225981  0.404027  1
  P  P134  1  0.749848  0.993989  0.478160  1
  P  P135  1  0.749492  0.610038  0.441145  1
  P  P136  1  0.255256  0.301968  0.459583  1
  P  P137  1  0.255387  0.917673  0.422433  1
  P  P138  1  0.255372  0.686079  0.496706  1
  P  P139  1  0.514530  0.090266  0.489289  1
  P  P140  1  0.514522  0.706398  0.452230  1
  P  P141  1  0.514472  0.321909  0.415011  1
  P  P142  1  0.490676  0.014112  0.433740  1
  P  P143  1  0.490579  0.630676  0.396845  1
  P  P144  1  0.490554  0.398210  0.470700  1
  P  P145  1  0.755501  0.265735  0.555043  1
  P  P146  1  0.755146  0.881784  0.518028  1
  P  P147  1  0.755700  0.649792  0.592161  1
  P  P148  1  0.990471  0.169375  0.543958  1
  P  P149  1  0.990464  0.785507  0.506899  1
  P  P150  1  0.990521  0.553863  0.581177  1
  P  P151  1  0.249621  0.189694  0.499482  1
  P  P152  1  0.249606  0.958100  0.573755  1
  P  P153  1  0.249737  0.573805  0.536605  1
  P  P154  1  0.014414  0.245096  0.599343  1
  P  P155  1  0.014317  0.861660  0.562448  1
  P  P156  1  0.014439  0.477563  0.525488  1
  P  P157  1  0.249709  0.262110  0.552286  1
  P  P158  1  0.249830  0.878171  0.515289  1
  P  P159  1  0.250239  0.646355  0.589592  1
  P  P160  1  0.754688  0.338247  0.607745  1
  P  P161  1  0.754941  0.954409  0.570928  1
  P  P162  1  0.755301  0.570140  0.533794  1
  P  P163  1  0.014431  0.358565  0.563506  1
  P  P164  1  0.014520  0.974420  0.526386  1
  P  P165  1  0.015086  0.742331  0.600470  1
  P  P166  1  0.990506  0.282400  0.507840  1
  P  P167  1  0.990395  0.050615  0.582162  1
  P  P168  1  0.990674  0.666326  0.544868  1
  P  P169  1  0.255146  0.381784  0.518028  1
  P  P170  1  0.255700  0.149792  0.592161  1
  P  P171  1  0.255501  0.765735  0.555043  1
  P  P172  1  0.490464  0.285507  0.506899  1
  P  P173  1  0.490521  0.053863  0.581177  1
  P  P174  1  0.490471  0.669375  0.543958  1
  P  P175  1  0.749606  0.458100  0.573755  1
  P  P176  1  0.749737  0.073805  0.536605  1
  P  P177  1  0.749621  0.689694  0.499482  1
  P  P178  1  0.514317  0.361660  0.562448  1
  P  P179  1  0.514439  0.977563  0.525488  1
  P  P180  1  0.514414  0.745096  0.599343  1
  P  P181  1  0.749830  0.378171  0.515289  1
  P  P182  1  0.750239  0.146355  0.589592  1
  P  P183  1  0.749709  0.762110  0.552286  1
  P  P184  1  0.254941  0.454409  0.570928  1
  P  P185  1  0.255301  0.070140  0.533794  1
  P  P186  1  0.254688  0.838247  0.607745  1
  P  P187  1  0.515086  0.242331  0.600470  1
  P  P188  1  0.514431  0.858565  0.563506  1
  P  P189  1  0.514520  0.474420  0.526386  1
  P  P190  1  0.490674  0.166326  0.544868  1
  P  P191  1  0.490506  0.782400  0.507840  1
  P  P192  1  0.490395  0.550615  0.582162  1
  P  P193  1  0.753795  0.418883  0.665708  1
  P  P194  1  0.754193  0.034185  0.629555  1
  P  P195  1  0.744232  0.803718  0.703668  1
  P  P196  1  0.989635  0.321381  0.654127  1
  P  P197  1  0.989503  0.937849  0.618085  1
  P  P198  1  0.990895  0.708702  0.692652  1
  P  P199  1  0.249834  0.341910  0.610473  1
  P  P200  1  0.255334  0.111348  0.686326  1
  P  P201  1  0.250221  0.726351  0.648020  1
  P  P202  1  0.998968  0.394846  0.708567  1
  P  P203  1  0.014828  0.012948  0.673699  1
  P  P204  1  0.015292  0.629701  0.637000  1
  P  P205  1  0.244990  0.413713  0.663367  1
  P  P206  1  0.250412  0.031026  0.626845  1
  P  P207  1  0.254965  0.800745  0.699839  1
  P  P208  1  0.754599  0.490629  0.717630  1
  P  P209  1  0.761050  0.105824  0.682503  1
  P  P210  1  0.757586  0.721903  0.644847  1
  P  P211  1  0.014242  0.511206  0.676014  1
  P  P212  1  0.016196  0.126650  0.637934  1
  P  P213  1  0.013151  0.893012  0.711150  1
  P  P214  1  0.989672  0.435203  0.619200  1
  P  P215  1  0.992440  0.202970  0.693846  1
  P  P216  1  0.990057  0.818579  0.656202  1
  P  P217  1  0.254193  0.534185  0.629555  1
  P  P218  1  0.244232  0.303718  0.703668  1
  P  P219  1  0.253795  0.918883  0.665708  1
  P  P220  1  0.489503  0.437849  0.618085  1
  P  P221  1  0.490895  0.208702  0.692652  1
  P  P222  1  0.489635  0.821381  0.654127  1
  P  P223  1  0.755334  0.611348  0.686326  1
  P  P224  1  0.750221  0.226351  0.648020  1
  P  P225  1  0.749834  0.841910  0.610473  1
  P  P226  1  0.514828  0.512948  0.673699  1
  P  P227  1  0.515292  0.129701  0.637000  1
  P  P228  1  0.498968  0.894846  0.708567  1
  P  P229  1  0.750412  0.531026  0.626845  1
  P  P230  1  0.754965  0.300745  0.699839  1
  P  P231  1  0.744990  0.913713  0.663367  1
  P  P232  1  0.261050  0.605824  0.682503  1
  P  P233  1  0.257586  0.221903  0.644847  1
  P  P234  1  0.254599  0.990629  0.717630  1
  P  P235  1  0.513151  0.393012  0.711150  1
  P  P236  1  0.514242  0.011206  0.676014  1
  P  P237  1  0.516196  0.626650  0.637934  1
  P  P238  1  0.490057  0.318579  0.656202  1
  P  P239  1  0.489672  0.935203  0.619200  1
  P  P240  1  0.492440  0.702970  0.693846  1
