data_[Ca20Pt8]
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/c]
_cell_length_a [16.3233]
_cell_length_b [6.6070]
_cell_length_c [7.6626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca5Pt2]
_chemical_formula_sum '[Ca20 Pt8]'
_cell_volume [819.0575]
_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  0.0902  0.1091  0.9191  1.0
  Ca  Ca1  8  0.2170  0.4180  0.3219  1.0
  Ca  Ca2  4  0.0000  0.4251  0.2500  1.0
  Pt  Pt3  8  0.1113  0.2903  0.5845  1.0
]