# generated using pymatgen
data_InCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92421226
_cell_length_b   3.92496100
_cell_length_c   6.51025206
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.01475606
_cell_angle_gamma   59.99367973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuS2
_chemical_formula_sum   'In1 Cu1 S2'
_cell_volume   86.83375648
_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  0.33327200  0.33336400  0.97253900  1.0
  Cu  Cu1  1  0.66658000  0.66671000  0.52012500  1.0
  S  S2  1  0.66669400  0.66665300  0.15685900  1.0
  S  S3  1  0.33345300  0.33327400  0.60047600  1.0