data_[Ga12Cu10]
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 [C2/m]
_cell_length_a [7.7160]
_cell_length_b [9.9223]
_cell_length_c [4.5374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga6Cu5]
_chemical_formula_sum '[Ga12 Cu10]'
_cell_volume [325.0589]
_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  8  0.1987  0.1490  0.1666  1.0
  Ga  Ga1  4  0.1955  0.0000  0.6646  1.0
  Cu  Cu2  4  0.0000  0.2247  0.5000  1.0
  Cu  Cu3  4  0.0000  0.3669  0.0000  1.0
  Cu  Cu4  2  0.0000  0.5000  0.5000  1.0
]