data_[Ca2Si12Pt8]
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 [Cm]
_cell_length_a [8.6756]
_cell_length_b [10.5478]
_cell_length_c [5.8376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.1401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca(Si3Pt2)2]
_chemical_formula_sum '[Ca2 Si12 Pt8]'
_cell_volume [402.2979]
_cell_formula_units_Z [2]
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  2  0.4916  0.5000  0.0405  1
  Si  Si1  4  0.2892  0.8001  0.0304  1
  Si  Si2  4  0.3147  0.1795  0.6388  1
  Si  Si3  2  0.0154  0.5000  0.3576  1
  Si  Si4  2  0.3167  0.5000  0.3540  1
  Pt  Pt5  4  0.1333  0.2997  0.1967  1
  Pt  Pt6  2  0.0280  0.5000  0.7757  1
  Pt  Pt7  2  0.1735  0.0000  0.7403  1
]