data_[Cs4Ga16Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6956]
_cell_length_b [6.3116]
_cell_length_c [5.6741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsGa4Ir]
_chemical_formula_sum '[Cs4 Ga16 Ir4]'
_cell_volume [641.3732]
_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
[
  Cs  Cs0  4  0.2143  0.0000  0.2638  1.0
  Ga  Ga1  8  0.0817  0.2408  0.6317  1.0
  Ga  Ga2  4  0.0000  0.1901  0.0000  1.0
  Ga  Ga3  4  0.1208  0.5000  0.0310  1.0
  Ir  Ir4  4  0.0295  0.5000  0.2854  1.0
]