data_[Ga16Co4Ir2]
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 [C2/m]
_cell_length_a [10.4444]
_cell_length_b [8.0023]
_cell_length_c [4.8343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga8Co2Ir]
_chemical_formula_sum '[Ga16 Co4 Ir2]'
_cell_volume [380.5540]
_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
[
  Ga  Ga0  8  0.1199  0.2263  0.3414  1
  Ga  Ga1  4  0.0341  0.5000  0.7750  1
  Ga  Ga2  4  0.2055  0.0000  0.8585  1
  Co  Co3  4  0.2139  0.5000  0.5680  1
  Ir  Ir4  2  0.0000  0.0000  0.0000  1
]