data_[Ga8Co4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.9729]
_cell_length_b [5.9729]
_cell_length_c [5.9729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ga2CoIr]
_chemical_formula_sum '[Ga8 Co4 Ir4]'
_cell_volume [213.0840]
_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
[
  Ga  Ga0  8  0.2500  0.2500  0.2500  1.0
  Co  Co1  4  0.0000  0.0000  0.5000  1.0
  Ir  Ir2  4  0.0000  0.0000  0.0000  1.0
]