# generated using pymatgen
data_Lu3PS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63929347
_cell_length_b   6.63929280
_cell_length_c   6.63929270
_cell_angle_alpha   146.49278599
_cell_angle_beta   131.98331721
_cell_angle_gamma   59.81918807
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3PS2
_chemical_formula_sum   'Lu3 P1 S2'
_cell_volume   119.01056325
_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
  Lu  Lu0  1  0.00000000  0.00000000  0.00000000  1.0
  Lu  Lu1  1  0.66108966  0.66108966  0.00000000  1.0
  Lu  Lu2  1  0.33891034  0.33891034  1.00000000  1.0
  P  P3  1  0.50000000  0.00000000  0.50000000  1.0
  S  S4  1  0.16784881  0.66784881  0.50000000  1.0
  S  S5  1  0.83215119  0.33215119  0.50000000  1.0