data_[Ga8Cu2Au10]
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 [17.5261]
_cell_length_b [3.8211]
_cell_length_c [5.6511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga4CuAu5]
_chemical_formula_sum '[Ga8 Cu2 Au10]'
_cell_volume [372.9056]
_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  0.0657  0.0000  0.8130  1
  Ga  Ga1  4  0.1265  0.5000  0.2935  1
  Cu  Cu2  2  0.0000  0.5000  0.0000  1
  Au  Au3  4  0.1876  0.0000  0.5984  1
  Au  Au4  4  0.2039  0.0000  0.1053  1
  Au  Au5  2  0.0000  0.5000  0.5000  1
]