data_[Ga12Cu20]
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 [Cmcm]
_cell_length_a [8.3307]
_cell_length_b [6.1762]
_cell_length_c [8.2439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ga3Cu5]
_chemical_formula_sum '[Ga12 Cu20]'
_cell_volume [424.1648]
_cell_formula_units_Z [4]
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  8  0.2231  0.0000  0.0000  1
  Ga  Ga1  4  0.0000  0.4488  0.2500  1
  Cu  Cu2  8  0.0000  0.2810  0.5244  1
  Cu  Cu3  8  0.2277  0.2595  0.7500  1
  Cu  Cu4  4  0.0000  0.0294  0.2500  1
]