# generated using pymatgen
data_InCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80599578
_cell_length_b   5.80599565
_cell_length_c   7.12968660
_cell_angle_alpha   114.02720886
_cell_angle_beta   114.02720473
_cell_angle_gamma   90.00000418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuSe2
_chemical_formula_sum   'In2 Cu2 Se4'
_cell_volume   196.49434117
_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  0.00000000  0.00000000  -0.00000000  1.0
  Cu  Cu3  1  0.25000000  0.75000000  0.50000000  1.0
  Se  Se4  1  0.34516103  0.37500000  0.25000000  1.0
  Se  Se5  1  0.90483897  0.87500000  0.25000000  1.0
  Se  Se6  1  0.12500000  0.65483897  0.75000000  1.0
  Se  Se7  1  0.62500000  0.09516103  0.75000000  1.0