data_[Ga12Ir4Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2943]
_cell_length_b [13.0066]
_cell_length_c [5.8831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ga3IrPd]
_chemical_formula_sum '[Ga12 Ir4 Pd4]'
_cell_volume [328.5956]
_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  0.0000  0.3229  0.5052  1.0
  Ga  Ga1  4  0.0000  0.0000  0.0000  1.0
  Ir  Ir2  4  0.0000  0.1599  0.7500  1.0
  Pd  Pd3  4  0.0000  0.4987  0.7500  1.0
]