data_[Ga12Cu2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.3820]
_cell_length_b [11.6204]
_cell_length_c [5.4942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga6CuPd]
_chemical_formula_sum '[Ga12 Cu2 Pd2]'
_cell_volume [279.5118]
_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  0.0832  0.8065  0.7573  1.0
  Ga  Ga1  4  0.0090  0.5000  0.7554  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  2  0.0000  0.0000  0.5000  1.0
]