data_[Nb8Ni48Sb8]
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 [Cmmm]
_cell_length_a [7.4410]
_cell_length_b [10.4795]
_cell_length_c [10.4908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [NbNi6Sb]
_chemical_formula_sum '[Nb8 Ni48 Sb8]'
_cell_volume [818.0508]
_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  0.0000  0.0000  0.2491  1
  Nb  Nb1  4  0.0000  0.2448  0.5000  1
  Ni  Ni2  16  0.2455  0.1238  0.1295  1
  Ni  Ni3  16  0.2468  0.1263  0.3781  1
  Ni  Ni4  8  0.0000  0.2474  0.2565  1
  Ni  Ni5  2  0.0000  0.0000  0.0000  1
  Ni  Ni6  2  0.0000  0.0000  0.5000  1
  Ni  Ni7  2  0.0000  0.5000  0.0000  1
  Ni  Ni8  2  0.0000  0.5000  0.5000  1
  Sb  Sb9  4  0.0000  0.2477  0.0000  1
  Sb  Sb10  4  0.0000  0.5000  0.2511  1
]