data_[K1Ir2Os1]
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 [Pm]
_cell_length_a [2.7036]
_cell_length_b [4.2373]
_cell_length_c [7.4009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KIr2Os]
_chemical_formula_sum '[K1 Ir2 Os1]'
_cell_volume [83.5558]
_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  0.5474  0.0000  0.4964  1
  Os  Os1  1  0.2521  0.5000  0.8607  1
  Ir  Ir2  1  0.8019  0.0000  0.9668  1
  Ir  Ir3  1  0.8985  0.5000  0.1761  1
]