data_[Ca2Ni12Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.4646]
_cell_length_b [6.4646]
_cell_length_c [9.2445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Ca(Ni3Sb2)2]
_chemical_formula_sum '[Ca2 Ni12 Sb8]'
_cell_volume [386.3350]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  8  0.1577  0.1577  0.5955  1.0
  Ni  Ni2  4  0.0000  0.5000  0.0000  1.0
  Sb  Sb3  8  0.2125  0.2125  0.3281  1.0
]