data_[Cd4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7118]
_cell_length_b [2.8959]
_cell_length_c [6.8632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdPt2]
_chemical_formula_sum '[Cd4 Pt8]'
_cell_volume [204.3524]
_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  0.0268  0.0000  0.7970  1.0
  Pt  Pt1  4  0.1430  0.5000  0.5241  1.0
  Pt  Pt2  4  0.1968  0.5000  0.1389  1.0
]