data_[K4Cu4Ir2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9591]
_cell_length_b [3.9413]
_cell_length_c [7.5253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cu2IrSe4]
_chemical_formula_sum '[K4 Cu4 Ir2 Se8]'
_cell_volume [412.4450]
_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
[
  K  K0  4  0.1312  0.0000  0.5612  1.0
  Cu  Cu1  4  0.1972  0.5000  0.9930  1.0
  Ir  Ir2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0208  0.5000  0.7994  1.0
  Se  Se4  4  0.1816  0.0000  0.1709  1.0
]