data_[Cd2Pt34]
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 [P2_1/m]
_cell_length_a [4.8109]
_cell_length_b [5.5588]
_cell_length_c [34.1675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdPt17]
_chemical_formula_sum '[Cd2 Pt34]'
_cell_volume [913.7351]
_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  0.3343  0.2500  0.7125  1
  Pt  Pt1  4  0.1661  0.0010  0.8636  1
  Pt  Pt2  4  0.1662  0.0059  0.2714  1
  Pt  Pt3  4  0.1673  0.5003  0.0680  1
  Pt  Pt4  4  0.4998  0.5031  0.2046  1
  Pt  Pt5  2  0.0001  0.2500  0.9998  1
  Pt  Pt6  2  0.0003  0.2500  0.2032  1
  Pt  Pt7  2  0.0060  0.2500  0.7942  1
  Pt  Pt8  2  0.3301  0.7500  0.7282  1
  Pt  Pt9  2  0.3317  0.7500  0.9320  1
  Pt  Pt10  2  0.3328  0.2500  0.9317  1
  Pt  Pt11  2  0.3340  0.2500  0.1354  1
  Pt  Pt12  2  0.3341  0.7500  0.1364  1
  Pt  Pt13  2  0.5000  0.0000  0.0000  1
]