# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.37735938
_cell_length_b   15.18340462
_cell_length_c   19.59111073
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm127
_cell_volume   4574.14564801
_cell_formula_units_Z   127
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
  Sm  Sm1  1  0.128526  0.134958  0.248350  1
  Sm  Sm2  1  0.128526  0.134958  0.494617  1
  Sm  Sm3  1  0.128526  0.134958  0.740884  1
  Sm  Sm4  1  0.166909  0.385993  0.994617  1
  Sm  Sm5  1  0.165214  0.384146  0.244089  1
  Sm  Sm6  1  0.166231  0.385615  0.494617  1
  Sm  Sm7  1  0.165214  0.384146  0.745145  1
  Sm  Sm8  1  0.128526  0.634958  0.994617  1
  Sm  Sm9  1  0.128526  0.634958  0.244269  1
  Sm  Sm10  1  0.128526  0.634958  0.494617  1
  Sm  Sm11  1  0.128526  0.634958  0.744965  1
  Sm  Sm12  1  0.090143  0.883923  0.994617  1
  Sm  Sm13  1  0.091838  0.885771  0.244089  1
  Sm  Sm14  1  0.090821  0.884301  0.494617  1
  Sm  Sm15  1  0.091838  0.885771  0.745145  1
  Sm  Sm16  1  0.379204  0.136398  0.994617  1
  Sm  Sm17  1  0.377651  0.135093  0.244253  1
  Sm  Sm18  1  0.379109  0.135437  0.494617  1
  Sm  Sm19  1  0.377651  0.135093  0.744981  1
  Sm  Sm20  1  0.415670  0.384604  0.994617  1
  Sm  Sm21  1  0.415657  0.385268  0.244285  1
  Sm  Sm22  1  0.416074  0.385155  0.494617  1
  Sm  Sm23  1  0.415657  0.385268  0.744949  1
  Sm  Sm24  1  0.378483  0.634743  0.994617  1
  Sm  Sm25  1  0.378865  0.636101  0.244856  1
  Sm  Sm26  1  0.378270  0.635364  0.494617  1
  Sm  Sm27  1  0.378865  0.636101  0.744378  1
  Sm  Sm28  1  0.343694  0.881978  0.994617  1
  Sm  Sm29  1  0.339834  0.887052  0.243278  1
  Sm  Sm30  1  0.341213  0.884962  0.494617  1
  Sm  Sm31  1  0.339834  0.887052  0.745956  1
  Sm  Sm32  1  0.628526  0.134958  0.994617  1
  Sm  Sm33  1  0.628526  0.134958  0.244813  1
  Sm  Sm34  1  0.628526  0.134958  0.494617  1
  Sm  Sm35  1  0.628526  0.134958  0.744421  1
  Sm  Sm36  1  0.665740  0.384862  0.994617  1
  Sm  Sm37  1  0.666438  0.385129  0.244683  1
  Sm  Sm38  1  0.665988  0.384630  0.494617  1
  Sm  Sm39  1  0.666438  0.385129  0.744551  1
  Sm  Sm40  1  0.628526  0.634958  0.994617  1
  Sm  Sm41  1  0.628526  0.634958  0.244962  1
  Sm  Sm42  1  0.628526  0.634958  0.494617  1
  Sm  Sm43  1  0.628526  0.634958  0.744272  1
  Sm  Sm44  1  0.591312  0.885054  0.994617  1
  Sm  Sm45  1  0.590614  0.884787  0.244683  1
  Sm  Sm46  1  0.591064  0.885286  0.494617  1
  Sm  Sm47  1  0.590614  0.884787  0.744551  1
  Sm  Sm48  1  0.877847  0.133519  0.994617  1
  Sm  Sm49  1  0.879401  0.134823  0.244253  1
  Sm  Sm50  1  0.877943  0.134479  0.494617  1
  Sm  Sm51  1  0.879401  0.134823  0.744981  1
  Sm  Sm52  1  0.913358  0.387938  0.994617  1
  Sm  Sm53  1  0.917218  0.382864  0.243278  1
  Sm  Sm54  1  0.915839  0.384954  0.494617  1
  Sm  Sm55  1  0.917218  0.382864  0.745956  1
  Sm  Sm56  1  0.878569  0.635174  0.994617  1
  Sm  Sm57  1  0.878187  0.633815  0.244856  1
  Sm  Sm58  1  0.878781  0.634552  0.494617  1
  Sm  Sm59  1  0.878187  0.633815  0.744378  1
  Sm  Sm60  1  0.841382  0.885312  0.994617  1
  Sm  Sm61  1  0.841395  0.884648  0.244285  1
  Sm  Sm62  1  0.840978  0.884761  0.494617  1
  Sm  Sm63  1  0.841395  0.884648  0.744949  1
  Sm  Sm64  1  0.977445  0.010745  0.119763  1
  Sm  Sm65  1  0.977960  0.011402  0.369517  1
  Sm  Sm66  1  0.977960  0.011402  0.619717  1
  Sm  Sm67  1  0.977445  0.010745  0.869471  1
  Sm  Sm68  1  0.034550  0.249597  0.111555  1
  Sm  Sm69  1  0.028316  0.257914  0.371229  1
  Sm  Sm70  1  0.028316  0.257914  0.618006  1
  Sm  Sm71  1  0.034550  0.249597  0.877680  1
  Sm  Sm72  1  0.028683  0.510297  0.119844  1
  Sm  Sm73  1  0.028835  0.511442  0.368985  1
  Sm  Sm74  1  0.028835  0.511442  0.620249  1
  Sm  Sm75  1  0.028683  0.510297  0.869390  1
  Sm  Sm76  1  0.978210  0.755644  0.120122  1
  Sm  Sm77  1  0.978302  0.757130  0.369438  1
  Sm  Sm78  1  0.978302  0.757130  0.619796  1
  Sm  Sm79  1  0.978210  0.755644  0.869112  1
  Sm  Sm80  1  0.222502  0.020319  0.111555  1
  Sm  Sm81  1  0.228736  0.012002  0.371229  1
  Sm  Sm82  1  0.228736  0.012002  0.618006  1
  Sm  Sm83  1  0.222502  0.020319  0.877680  1
  Sm  Sm84  1  0.279607  0.259171  0.119763  1
  Sm  Sm85  1  0.279092  0.258514  0.369517  1
  Sm  Sm86  1  0.279092  0.258514  0.619717  1
  Sm  Sm87  1  0.279607  0.259171  0.869471  1
  Sm  Sm88  1  0.278842  0.514272  0.120122  1
  Sm  Sm89  1  0.278750  0.512786  0.369438  1
  Sm  Sm90  1  0.278750  0.512786  0.619796  1
  Sm  Sm91  1  0.278842  0.514272  0.869112  1
  Sm  Sm92  1  0.228369  0.759619  0.119844  1
  Sm  Sm93  1  0.228217  0.758474  0.368985  1
  Sm  Sm94  1  0.228217  0.758474  0.620249  1
  Sm  Sm95  1  0.228369  0.759619  0.869390  1
  Sm  Sm96  1  0.476842  0.012143  0.119543  1
  Sm  Sm97  1  0.477829  0.012360  0.369170  1
  Sm  Sm98  1  0.477829  0.012360  0.620064  1
  Sm  Sm99  1  0.476842  0.012143  0.869691  1
  Sm  Sm100  1  0.530726  0.257950  0.120253  1
  Sm  Sm101  1  0.528872  0.257766  0.369163  1
  Sm  Sm102  1  0.528872  0.257766  0.620071  1
  Sm  Sm103  1  0.530726  0.257950  0.868981  1
  Sm  Sm104  1  0.528361  0.512068  0.119610  1
  Sm  Sm105  1  0.528494  0.512120  0.369717  1
  Sm  Sm106  1  0.528494  0.512120  0.619517  1
  Sm  Sm107  1  0.528361  0.512068  0.869624  1
  Sm  Sm108  1  0.479250  0.757094  0.119874  1
  Sm  Sm109  1  0.478130  0.758192  0.369774  1
  Sm  Sm110  1  0.478130  0.758192  0.619460  1
  Sm  Sm111  1  0.479250  0.757094  0.869360  1
  Sm  Sm112  1  0.726326  0.011967  0.120253  1
  Sm  Sm113  1  0.728180  0.012150  0.369163  1
  Sm  Sm114  1  0.728180  0.012150  0.620071  1
  Sm  Sm115  1  0.726326  0.011967  0.868981  1
  Sm  Sm116  1  0.780210  0.257774  0.119543  1
  Sm  Sm117  1  0.779223  0.257556  0.369170  1
  Sm  Sm118  1  0.779223  0.257556  0.620064  1
  Sm  Sm119  1  0.780210  0.257774  0.869691  1
  Sm  Sm120  1  0.777802  0.512822  0.119874  1
  Sm  Sm121  1  0.778922  0.511724  0.369774  1
  Sm  Sm122  1  0.778922  0.511724  0.619460  1
  Sm  Sm123  1  0.777802  0.512822  0.869360  1
  Sm  Sm124  1  0.728691  0.757848  0.119610  1
  Sm  Sm125  1  0.728558  0.757796  0.369717  1
  Sm  Sm126  1  0.728558  0.757796  0.619517  1
  Sm  Sm127  1  0.728691  0.757848  0.869624  1
