data_[Ca12Cd8Pt4]
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 [Cmmm]
_cell_length_a [5.1860]
_cell_length_b [15.6896]
_cell_length_c [7.5578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca3Cd2Pt]
_chemical_formula_sum '[Ca12 Cd8 Pt4]'
_cell_volume [614.9499]
_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
[
  Ca  Ca0  8  0.0000  0.1744  0.2236  1
  Ca  Ca1  4  0.0000  0.5000  0.2358  1
  Cd  Cd2  4  0.0000  0.3346  0.5000  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
  Cd  Cd4  2  0.0000  0.0000  0.5000  1
  Pt  Pt5  4  0.0000  0.3434  0.0000  1
]