data_[Cd2Ni24B10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.7851]
_cell_length_b [6.8260]
_cell_length_c [7.6572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CdNi12B5]
_chemical_formula_sum '[Cd2 Ni24 B10]'
_cell_volume [354.6485]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.5000  1
  Ni  Ni1  8  0.0000  0.1867  0.2134  1
  Ni  Ni2  8  0.1830  0.5000  0.8164  1
  Ni  Ni3  8  0.2194  0.6783  0.5000  1
  B  B4  4  0.0000  0.3589  0.0000  1
  B  B5  4  0.0000  0.5000  0.3851  1
  B  B6  2  0.0000  0.0000  0.0000  1
]