data_[Nb1Zn5Cu4]
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 [P4/mmm]
_cell_length_a [2.9914]
_cell_length_b [2.9914]
_cell_length_c [15.2421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NbZn5Cu4]
_chemical_formula_sum '[Nb1 Zn5 Cu4]'
_cell_volume [136.3955]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Zn  Zn1  2  0.5000  0.5000  0.1221  1
  Zn  Zn2  2  0.5000  0.5000  0.3107  1
  Zn  Zn3  1  0.5000  0.5000  0.5000  1
  Cu  Cu4  2  0.0000  0.0000  0.2162  1
  Cu  Cu5  2  0.0000  0.0000  0.4051  1
]