data_[Ba24Cd4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.9477]
_cell_length_b [11.5297]
_cell_length_c [11.7491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba6CdNi2]
_chemical_formula_sum '[Ba24 Cd4 Ni8]'
_cell_volume [1483.0231]
_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
[
  Ba  Ba0  8  0.0000  0.2073  0.2154  1
  Ba  Ba1  8  0.1934  0.5000  0.1776  1
  Ba  Ba2  8  0.2004  0.3221  0.5000  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
  Cd  Cd4  2  0.0000  0.0000  0.5000  1
  Ni  Ni5  4  0.0000  0.3974  0.0000  1
  Ni  Ni6  4  0.0000  0.5000  0.3990  1
]