data_[Ga16Cu4Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1072]
_cell_length_b [10.5785]
_cell_length_c [5.1759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga4CuNi]
_chemical_formula_sum '[Ga16 Cu4 Ni4]'
_cell_volume [373.8157]
_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  0.1300  0.1793  0.0908  1.0
  Ga  Ga1  8  0.1946  0.4217  0.3031  1.0
  Cu  Cu2  4  0.0000  0.3704  0.7500  1.0
  Ni  Ni3  4  0.0000  0.0096  0.2500  1.0
]