data_[Ga4Cu4Ni4]
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 [Cm]
_cell_length_a [7.3582]
_cell_length_b [3.9507]
_cell_length_c [5.0931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaCuNi]
_chemical_formula_sum '[Ga4 Cu4 Ni4]'
_cell_volume [147.3857]
_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  2  0.0467  0.0000  0.3835  1.0
  Ga  Ga1  2  0.3692  0.0000  0.0089  1.0
  Cu  Cu2  2  0.2046  0.5000  0.6965  1.0
  Cu  Cu3  2  0.3764  0.0000  0.5195  1.0
  Ni  Ni4  2  0.0351  0.0000  0.8874  1.0
  Ni  Ni5  2  0.2139  0.5000  0.1947  1.0
]