data_[Nb8Ga8Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9374]
_cell_length_b [5.0551]
_cell_length_c [8.7781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NbGaCu]
_chemical_formula_sum '[Nb8 Ga8 Cu8]'
_cell_volume [352.2183]
_cell_formula_units_Z [8]
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
[
  Nb  Nb0  4  0.1812  0.0000  0.6659  1.0
  Nb  Nb1  4  0.3147  0.0000  0.3348  1.0
  Ga  Ga2  4  0.5000  0.2445  0.5862  1.0
  Ga  Ga3  2  0.0000  0.0000  0.1712  1.0
  Ga  Ga4  2  0.5000  0.0000  0.8294  1.0
  Cu  Cu5  4  0.0000  0.2441  0.4140  1.0
  Cu  Cu6  4  0.2486  0.0000  0.9986  1.0
]