data_[Ga2Cu12Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7441]
_cell_length_b [5.0792]
_cell_length_c [6.6322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga(Cu3Au)2]
_chemical_formula_sum '[Ga2 Cu12 Au4]'
_cell_volume [254.0005]
_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  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  8  0.0349  0.2548  0.6881  1.0
  Cu  Cu2  4  0.2480  0.0000  0.4904  1.0
  Au  Au3  4  0.1819  0.5000  0.0866  1.0
]