data_[Nb1Ni14Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1520]
_cell_length_b [5.1520]
_cell_length_c [7.1019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NbNi14Sb]
_chemical_formula_sum '[Nb1 Ni14 Sb1]'
_cell_volume [188.5057]
_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  0.5000  0.5000  0.5000  1
  Ni  Ni1  8  0.2522  0.2522  0.2389  1
  Ni  Ni2  2  0.0000  0.5000  0.0000  1
  Ni  Ni3  2  0.0000  0.5000  0.5000  1
  Ni  Ni4  1  0.0000  0.0000  0.0000  1
  Ni  Ni5  1  0.5000  0.5000  0.0000  1
  Sb  Sb6  1  0.0000  0.0000  0.5000  1
]