data_[Ga4Pb6Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2124]
_cell_length_b [4.2870]
_cell_length_c [8.8119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2Pb3Au4]
_chemical_formula_sum '[Ga4 Pb6 Au8]'
_cell_volume [425.3144]
_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  4  0.1861  0.5000  0.3544  1.0
  Pb  Pb1  4  0.1077  0.5000  0.7093  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0911  0.0000  0.4218  1.0
  Au  Au4  4  0.2014  0.5000  0.0731  1.0
]