data_[Ga8Cu8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.6472]
_cell_length_b [5.1582]
_cell_length_c [9.4494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [GaCu]
_chemical_formula_sum '[Ga8 Cu8]'
_cell_volume [226.5118]
_cell_formula_units_Z [8]
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  0.1614  0.1698  0.5680  1.0
  Ga  Ga1  4  0.1700  0.5146  0.3021  1.0
  Cu  Cu2  4  0.1709  0.3156  0.0581  1.0
  Cu  Cu3  4  0.1716  0.0112  0.8320  1.0
]