data_[Ca12Si12Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1487]
_cell_length_b [14.2395]
_cell_length_c [5.7481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ca3Si3Pt2]
_chemical_formula_sum '[Ca12 Si12 Pt8]'
_cell_volume [666.9753]
_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  0.0485  0.6140  0.6238  1
  Ca  Ca1  4  0.1968  0.7500  0.1108  1
  Si  Si2  8  0.1846  0.5395  0.1313  1
  Si  Si3  4  0.1511  0.2500  0.0873  1
  Pt  Pt4  8  0.0967  0.0946  0.8796  1
]