data_[Nb4Zn4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7589]
_cell_length_b [2.6635]
_cell_length_c [7.6475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbZnCu]
_chemical_formula_sum '[Nb4 Zn4 Cu4]'
_cell_volume [179.5110]
_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
[
  Nb  Nb0  2  0.1729  0.5000  0.3234  1
  Nb  Nb1  2  0.4560  0.0000  0.6904  1
  Zn  Zn2  2  0.1916  0.0000  0.6764  1
  Zn  Zn3  2  0.2226  0.0000  0.0369  1
  Cu  Cu4  2  0.4231  0.5000  0.9871  1
  Cu  Cu5  2  0.4417  0.5000  0.3404  1
]