# generated using pymatgen
data_InCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52040493
_cell_length_b   5.52040489
_cell_length_c   6.79597938
_cell_angle_alpha   113.96334032
_cell_angle_beta   113.96334347
_cell_angle_gamma   90.00000859
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuS2
_chemical_formula_sum   'In2 Cu2 S4'
_cell_volume   169.53429046
_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
  In  In0  1  0.50000000  0.50000000  0.00000000  1.0
  In  In1  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu2  1  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  -0.00000000  0.00000000  1.0
  S  S4  1  0.90380269  0.87500000  0.25000000  1.0
  S  S5  1  0.62500000  0.09619731  0.75000000  1.0
  S  S6  1  0.34619731  0.37500000  0.25000000  1.0
  S  S7  1  0.12500000  0.65380269  0.75000000  1.0