# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79314394
_cell_length_b   16.66414962
_cell_length_c   55.38289604
_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   'Fe24 P96'
_cell_volume   6269.45276632
_cell_formula_units_Z   24
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  1.001737  0.607406  0.320599  1
  Fe  Fe2  1  1.001737  0.939371  0.392303  1
  Fe  Fe3  1  0.501737  0.192983  0.391434  1
  Fe  Fe4  1  0.501737  0.863416  0.321741  1
  Fe  Fe5  1  0.501737  0.439371  0.392303  1
  Fe  Fe6  1  0.501737  0.107406  0.320599  1
  Fe  Fe7  1  1.001737  0.363416  0.321741  1
  Fe  Fe8  1  1.001737  0.692983  0.391434  1
  Fe  Fe9  1  1.001737  0.269263  0.463800  1
  Fe  Fe10  1  0.001737  0.599240  0.535389  1
  Fe  Fe11  1  0.501737  0.852086  0.534673  1
  Fe  Fe12  1  0.501737  0.522109  0.463084  1
  Fe  Fe13  1  0.501737  0.099240  0.535389  1
  Fe  Fe14  1  0.501737  0.769263  0.463800  1
  Fe  Fe15  1  0.001737  0.022109  0.463084  1
  Fe  Fe16  1  1.001737  0.352086  0.534673  1
  Fe  Fe17  1  1.001737  0.928365  0.607039  1
  Fe  Fe18  1  1.001737  0.257932  0.676732  1
  Fe  Fe19  1  0.501737  0.513942  0.677874  1
  Fe  Fe20  1  0.501737  0.181978  0.606170  1
  Fe  Fe21  1  0.501737  0.757932  0.676732  1
  Fe  Fe22  1  0.501737  0.428365  0.607039  1
  Fe  Fe23  1  0.001737  0.681978  0.606170  1
  Fe  Fe24  1  1.001737  0.013942  0.677874  1
  P  P25  1  0.501737  0.397490  0.354734  1
  P  P26  1  0.501737  0.727952  0.426279  1
  P  P27  1  0.258399  0.565286  0.340367  1
  P  P28  1  0.257430  0.894344  0.411773  1
  P  P29  1  0.501737  0.732025  0.318837  1
  P  P30  1  0.501737  0.061854  0.391724  1
  P  P31  1  0.252753  0.408878  0.301110  1
  P  P32  1  0.257318  0.737251  0.371835  1
  P  P33  1  0.501737  0.570461  0.288429  1
  P  P34  1  0.501737  0.905302  0.358728  1
  P  P35  1  0.501737  0.238706  0.319291  1
  P  P36  1  0.501737  0.570622  0.392596  1
  P  P37  1  0.750722  0.408878  0.301110  1
  P  P38  1  0.746157  0.737251  0.371835  1
  P  P39  1  0.745075  0.565286  0.340367  1
  P  P40  1  0.746044  0.894344  0.411773  1
  P  P41  1  1.001737  0.227952  0.426279  1
  P  P42  1  1.001737  0.897490  0.354734  1
  P  P43  1  0.757430  0.394344  0.411773  1
  P  P44  1  0.758399  0.065286  0.340367  1
  P  P45  1  1.001737  0.561854  0.391724  1
  P  P46  1  1.001737  0.232025  0.318837  1
  P  P47  1  0.757318  0.237251  0.371835  1
  P  P48  1  0.752753  0.908878  0.301110  1
  P  P49  1  1.001737  0.405302  0.358728  1
  P  P50  1  1.001737  0.070461  0.288429  1
  P  P51  1  1.001737  0.070622  0.392596  1
  P  P52  1  1.001737  0.738706  0.319291  1
  P  P53  1  0.246157  0.237251  0.371835  1
  P  P54  1  0.250722  0.908878  0.301110  1
  P  P55  1  0.246044  0.394344  0.411773  1
  P  P56  1  0.245075  0.065286  0.340367  1
  P  P57  1  0.501737  0.057580  0.497961  1
  P  P58  1  0.501737  0.387411  0.569533  1
  P  P59  1  0.258212  0.224207  0.483080  1
  P  P60  1  0.258250  0.553862  0.554574  1
  P  P61  1  0.501737  0.390890  0.463052  1
  P  P62  1  0.501737  0.720836  0.534413  1
  P  P63  1  0.258250  0.067487  0.443899  1
  P  P64  1  0.258212  0.397141  0.515394  1
  P  P65  1  0.501737  0.233938  0.428940  1
  P  P66  1  0.501737  0.563768  0.500513  1
  P  P67  1  0.501737  0.900512  0.464060  1
  P  P68  1  0.501737  0.230459  0.535421  1
  P  P69  1  0.745225  0.067487  0.443899  1
  P  P70  1  0.745263  0.397141  0.515394  1
  P  P71  1  0.745263  0.224207  0.483080  1
  P  P72  1  0.745225  0.553862  0.554574  1
  P  P73  1  1.001737  0.887411  0.569533  1
  P  P74  1  1.001737  0.557580  0.497961  1
  P  P75  1  0.758250  0.053862  0.554574  1
  P  P76  1  0.758212  0.724207  0.483080  1
  P  P77  1  0.001737  0.220836  0.534413  1
  P  P78  1  1.001737  0.890890  0.463052  1
  P  P79  1  0.758212  0.897141  0.515394  1
  P  P80  1  0.758250  0.567487  0.443899  1
  P  P81  1  1.001737  0.063768  0.500513  1
  P  P82  1  1.001737  0.733938  0.428940  1
  P  P83  1  1.001737  0.730459  0.535421  1
  P  P84  1  1.001737  0.400512  0.464060  1
  P  P85  1  0.245263  0.897141  0.515394  1
  P  P86  1  0.245225  0.567487  0.443899  1
  P  P87  1  0.245225  0.053862  0.554574  1
  P  P88  1  0.245263  0.724207  0.483080  1
  P  P89  1  0.501737  0.716047  0.639745  1
  P  P90  1  0.501737  0.050887  0.710044  1
  P  P91  1  0.257318  0.884098  0.626638  1
  P  P92  1  0.252753  0.212470  0.697363  1
  P  P93  1  0.501737  0.050727  0.605877  1
  P  P94  1  0.501737  0.382642  0.679182  1
  P  P95  1  0.257430  0.727004  0.586700  1
  P  P96  1  0.258399  0.056063  0.658106  1
  P  P97  1  0.501737  0.893396  0.572195  1
  P  P98  1  0.501737  0.223859  0.643739  1
  P  P99  1  0.501737  0.559494  0.606749  1
  P  P100  1  0.501737  0.889324  0.679637  1
  P  P101  1  0.746044  0.727004  0.586700  1
  P  P102  1  0.745075  0.056063  0.658106  1
  P  P103  1  0.746157  0.884098  0.626638  1
  P  P104  1  0.750722  0.212470  0.697363  1
  P  P105  1  1.001737  0.550887  0.710044  1
  P  P106  1  1.001737  0.216047  0.639745  1
  P  P107  1  0.752753  0.712470  0.697363  1
  P  P108  1  0.757318  0.384098  0.626638  1
  P  P109  1  1.001737  0.882642  0.679182  1
  P  P110  1  1.001737  0.550727  0.605877  1
  P  P111  1  0.758399  0.556063  0.658106  1
  P  P112  1  0.757430  0.227004  0.586700  1
  P  P113  1  1.001737  0.723859  0.643739  1
  P  P114  1  1.001737  0.393396  0.572195  1
  P  P115  1  0.001737  0.389324  0.679637  1
  P  P116  1  1.001737  0.059494  0.606749  1
  P  P117  1  0.245075  0.556063  0.658106  1
  P  P118  1  0.246044  0.227004  0.586700  1
  P  P119  1  0.250722  0.712470  0.697363  1
  P  P120  1  0.246157  0.384098  0.626638  1
