data_[K4Ir2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5092]
_cell_length_b [2.8424]
_cell_length_c [9.9903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2IrOs]
_chemical_formula_sum '[K4 Ir2 Os2]'
_cell_volume [241.4140]
_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  2  0.0115  0.0000  0.0970  1
  K  K1  2  0.2405  0.0000  0.6538  1
  Ir  Ir2  2  0.2563  0.5000  0.3383  1
  Os  Os3  2  0.4916  0.0000  0.4109  1
]