data_[Ga2Cu2Au8]
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 [Pbam]
_cell_length_a [5.6469]
_cell_length_b [8.1002]
_cell_length_c [4.6652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [GaCuAu4]
_chemical_formula_sum '[Ga2 Cu2 Au8]'
_cell_volume [213.3920]
_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  0.5000  0.5000  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  4  0.0862  0.3305  0.0000  1.0
  Au  Au3  4  0.0869  0.8364  0.5000  1.0
]