data_[Ca8Si8Pt4]
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 [C2/m]
_cell_length_a [10.5732]
_cell_length_b [4.3336]
_cell_length_c [10.4202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Si2Pt]
_chemical_formula_sum '[Ca8 Si8 Pt4]'
_cell_volume [417.8421]
_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  4  0.0033  0.0000  0.3231  1.0
  Ca  Ca1  4  0.1914  0.0000  0.1100  1.0
  Si  Si2  4  0.0079  0.5000  0.8870  1.0
  Si  Si3  4  0.1434  0.5000  0.5526  1.0
  Pt  Pt4  4  0.2284  0.5000  0.3511  1.0
]