data_[K4Ga12Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9384]
_cell_length_b [6.5281]
_cell_length_c [6.9618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KGa3Ir]
_chemical_formula_sum '[K4 Ga12 Ir4]'
_cell_volume [459.8835]
_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  2  0.1989  0.5000  0.1729  1.0
  K  K1  2  0.4291  0.0000  0.5883  1.0
  Ga  Ga2  4  0.1993  0.2538  0.6295  1.0
  Ga  Ga3  4  0.4174  0.1939  0.1160  1.0
  Ga  Ga4  2  0.1317  0.0000  0.1062  1.0
  Ga  Ga5  2  0.4846  0.5000  0.6545  1.0
  Ir  Ir6  2  0.0453  0.0000  0.3720  1.0
  Ir  Ir7  2  0.3692  0.5000  0.8543  1.0
]