data_[Ca20Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2155]
_cell_length_b [16.2763]
_cell_length_c [8.2337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5Pt3]
_chemical_formula_sum '[Ca20 Pt12]'
_cell_volume [807.2483]
_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  0.1593  0.1878  0.2038  1
  Ca  Ca1  8  0.2128  0.3945  0.3715  1
  Ca  Ca2  4  0.2474  0.5000  0.9908  1
  Pt  Pt3  4  0.0000  0.2505  0.5000  1
  Pt  Pt4  4  0.0000  0.3456  0.0000  1
  Pt  Pt5  4  0.0947  0.0000  0.3134  1
]