data_[Ni4Sb8]
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 [Cm]
_cell_length_a [12.2422]
_cell_length_b [3.7886]
_cell_length_c [6.7970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiSb2]
_chemical_formula_sum '[Ni4 Sb8]'
_cell_volume [263.5747]
_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  2  0.1816  0.5000  0.5229  1
  Ni  Ni1  2  0.4755  0.5000  0.8786  1
  Sb  Sb2  2  0.0761  0.0000  0.6135  1
  Sb  Sb3  2  0.1611  0.5000  0.1049  1
  Sb  Sb4  2  0.3378  0.0000  0.5735  1
  Sb  Sb5  2  0.4344  0.0000  0.1400  1
]