data_[Ga12Cu2Ni2]
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/m]
_cell_length_a [4.2344]
_cell_length_b [11.5711]
_cell_length_c [5.3911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga6CuNi]
_chemical_formula_sum '[Ga12 Cu2 Ni2]'
_cell_volume [264.1450]
_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  0.0666  0.1871  0.7473  1.0
  Ga  Ga1  4  0.0077  0.5000  0.7439  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  2  0.0000  0.0000  0.5000  1.0
]