data_[K4Cu4Te8Ir4Se4]
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
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9797]
_cell_length_b [15.5344]
_cell_length_c [10.1380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KCuTe2IrSe]
_chemical_formula_sum '[K4 Cu4 Te8 Ir4 Se4]'
_cell_volume [626.7607]
_cell_formula_units_Z [4]
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  0.0000  0.2524  0.7500  1
  Cu  Cu1  4  0.0000  0.4698  0.2500  1
  Te  Te2  8  0.0000  0.3854  0.0340  1
  Ir  Ir3  4  0.0000  0.0000  0.0000  1
  Se  Se4  4  0.0000  0.0603  0.2500  1
]