# generated using pymatgen
data_Cu(IrSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01773071
_cell_length_b   6.12068745
_cell_length_c   6.01520306
_cell_angle_alpha   91.41802608
_cell_angle_beta   90.29989690
_cell_angle_gamma   92.64169774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(IrSe4)2
_chemical_formula_sum   'Cu1 Ir2 Se8'
_cell_volume   221.24812628
_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
  Cu  Cu0  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir1  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir2  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se3  1  0.61279914  0.88926573  0.11186617  1.0
  Se  Se4  1  0.89349621  0.11760367  0.61351036  1.0
  Se  Se5  1  0.12312761  0.61336703  0.88599943  1.0
  Se  Se6  1  0.62641438  0.60858609  0.62395598  1.0
  Se  Se7  1  0.37358562  0.39141391  0.37604402  1.0
  Se  Se8  1  0.87687239  0.38663297  0.11400057  1.0
  Se  Se9  1  0.10650379  0.88239633  0.38648964  1.0
  Se  Se10  1  0.38720086  0.11073427  0.88813383  1.0