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 [Cm]
_cell_length_a [10.6639]
_cell_length_b [2.8817]
_cell_length_c [6.8589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdPt2]
_chemical_formula_sum '[Cd4 Pt8]'
_cell_volume [202.7938]
_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  2  0.1751  0.5000  0.3415  1.0
  Cd  Cd1  2  0.4948  0.5000  0.9925  1.0
  Pt  Pt2  2  0.0522  0.0000  0.6104  1.0
  Pt  Pt3  2  0.2184  0.5000  0.9429  1.0
  Pt  Pt4  2  0.3308  0.0000  0.6671  1.0
  Pt  Pt5  2  0.3954  0.0000  0.2789  1.0
]