data_[Ga4Cu2Au14]
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 [Cmmm]
_cell_length_a [7.7029]
_cell_length_b [17.4977]
_cell_length_c [2.8440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ga2CuAu7]
_chemical_formula_sum '[Ga4 Cu2 Au14]'
_cell_volume [383.3188]
_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  0.0000  0.3404  0.5000  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  8  0.1970  0.0956  0.5000  1.0
  Au  Au3  4  0.0000  0.2164  0.0000  1.0
  Au  Au4  2  0.0000  0.5000  0.5000  1.0
]