data_[Ni12Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4904]
_cell_length_b [6.1113]
_cell_length_c [4.9490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ni3Sb2]
_chemical_formula_sum '[Ni12 Sb8]'
_cell_volume [316.7841]
_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
[
  Ni  Ni0  8  0.0959  0.3569  0.1043  1.0
  Ni  Ni1  4  0.0000  0.0027  0.2500  1.0
  Sb  Sb2  8  0.1535  0.2433  0.6566  1.0
]