# generated using pymatgen
data_InPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72718480
_cell_length_b   5.72718437
_cell_length_c   6.08352201
_cell_angle_alpha   118.08059042
_cell_angle_beta   118.08058751
_cell_angle_gamma   89.99999862
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPS4
_chemical_formula_sum   'In1 P1 S4'
_cell_volume   148.90520919
_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
  In  In0  1  -0.00000000  0.00000000  -0.00000000  1.0
  P  P1  1  0.75000000  0.25000000  0.50000000  1.0
  S  S2  1  0.43636692  0.36325414  0.26192788  1.0
  S  S3  1  0.82556196  0.89867274  0.26192788  1.0
  S  S4  1  0.10132726  0.56363308  0.73807212  1.0
  S  S5  1  0.63674586  0.17443804  0.73807212  1.0