data_[K2Cu1Ir1]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8849]
_cell_length_b [4.1094]
_cell_length_c [9.8225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [K2CuIr]
_chemical_formula_sum '[K2 Cu1 Ir1]'
_cell_volume [115.5890]
_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
[
  K  K0  1  0.7646  0.5000  0.3461  1
  K  K1  1  0.9733  0.0000  0.9036  1
  Cu  Cu2  1  0.8725  0.0000  0.6025  1
  Ir  Ir3  1  0.3896  0.5000  0.6478  1
]