# generated using pymatgen
data_Sm2PS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04482898
_cell_length_b   7.04482881
_cell_length_c   7.04482955
_cell_angle_alpha   131.97355291
_cell_angle_beta   131.97355113
_cell_angle_gamma   70.27080018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2PS
_chemical_formula_sum   'Sm4 P2 S2'
_cell_volume   189.40532486
_cell_formula_units_Z   2
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  0.49539853  0.99539853  0.50000000  1.0
  Sm  Sm1  1  0.00460147  0.50460147  0.50000000  1.0
  Sm  Sm2  1  0.74539853  0.74539853  0.00000000  1.0
  Sm  Sm3  1  0.25460147  0.25460147  1.00000000  1.0
  P  P4  1  0.25000000  0.75000000  0.50000000  1.0
  P  P5  1  0.50000000  0.50000000  0.00000000  1.0
  S  S6  1  0.00000000  0.00000000  0.00000000  1.0
  S  S7  1  0.75000000  0.25000000  0.50000000  1.0