data_[Ca16Cd2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [9.1184]
_cell_length_b [13.3690]
_cell_length_c [5.8208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8CdPt2]
_chemical_formula_sum '[Ca16 Cd2 Pt4]'
_cell_volume [690.3975]
_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
[
  Ca  Ca0  8  0.1960  0.1304  0.0842  1
  Ca  Ca1  4  0.0000  0.2429  0.5000  1
  Ca  Ca2  4  0.1190  0.5000  0.2948  1
  Cd  Cd3  2  0.0000  0.0000  0.5000  1
  Pt  Pt4  4  0.0000  0.3183  0.0000  1
]