# generated using pymatgen
data_Sm3Th(CuP)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82494323
_cell_length_b   8.96438419
_cell_length_c   9.83356453
_cell_angle_alpha   89.85919341
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Th(CuP)8
_chemical_formula_sum   'Sm3 Th1 Cu8 P8'
_cell_volume   337.17480531
_cell_formula_units_Z   1
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  Sm0  1  0.25000000  0.25261078  0.68488696  1.0
  Sm  Sm1  1  0.75000000  0.75075001  0.31610540  1.0
  Sm  Sm2  1  0.25000000  0.74987596  0.81618608  1.0
  Th  Th3  1  0.75000000  0.24724798  0.18298954  1.0
  Cu  Cu4  1  0.75000000  0.07555534  0.45429792  1.0
  Cu  Cu5  1  0.25000000  0.92522073  0.54967177  1.0
  Cu  Cu6  1  0.75000000  0.57475312  0.04954911  1.0
  Cu  Cu7  1  0.25000000  0.42477466  0.94878487  1.0
  Cu  Cu8  1  0.25000000  0.94388121  0.10300161  1.0
  Cu  Cu9  1  0.75000000  0.04970819  0.89752134  1.0
  Cu  Cu10  1  0.25000000  0.45410629  0.40164046  1.0
  Cu  Cu11  1  0.75000000  0.55071298  0.59894754  1.0
  P  P12  1  0.25000000  0.16813613  0.96888533  1.0
  P  P13  1  0.75000000  0.82863869  0.03229567  1.0
  P  P14  1  0.25000000  0.67188319  0.53225886  1.0
  P  P15  1  0.75000000  0.33149215  0.46558810  1.0
  P  P16  1  0.25000000  0.51571216  0.17559378  1.0
  P  P17  1  0.75000000  0.47936284  0.82247351  1.0
  P  P18  1  0.25000000  0.02424033  0.32305391  1.0
  P  P19  1  0.75000000  0.98134126  0.67626624  1.0