data_[Cd4B4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8344]
_cell_length_b [4.0869]
_cell_length_c [11.4113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdBPt3]
_chemical_formula_sum '[Cd4 B4 Pt12]'
_cell_volume [303.6995]
_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
[
  Cd  Cd0  4  0.1268  0.2467  0.9825  1.0
  B  B1  4  0.4222  0.1673  0.3440  1.0
  Pt  Pt2  4  0.1106  0.2383  0.7287  1.0
  Pt  Pt3  4  0.3497  0.7429  0.6992  1.0
  Pt  Pt4  4  0.3501  0.7491  0.9409  1.0
]