data_[Ni6Sb10]
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 [Cmmm]
_cell_length_a [7.8620]
_cell_length_b [10.6998]
_cell_length_c [4.0208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ni3Sb5]
_chemical_formula_sum '[Ni6 Sb10]'
_cell_volume [338.2335]
_cell_formula_units_Z [2]
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  4  0.0000  0.3176  0.5000  1
  Ni  Ni1  2  0.0000  0.5000  0.0000  1
  Sb  Sb2  4  0.2085  0.5000  0.5000  1
  Sb  Sb3  4  0.2500  0.2500  0.0000  1
  Sb  Sb4  2  0.0000  0.0000  0.0000  1
]