data_[Ga12Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.5903]
_cell_length_b [6.5903]
_cell_length_c [6.7182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ga3Ir]
_chemical_formula_sum '[Ga12 Ir4]'
_cell_volume [291.7885]
_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  0.1406  0.1406  0.2455  1.0
  Ga  Ga1  4  0.0000  0.5000  0.0000  1.0
  Ir  Ir2  4  0.1603  0.8397  0.5000  1.0
]