data_[Ca6Si4Pt8]
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 [10.6991]
_cell_length_b [4.1446]
_cell_length_c [8.6224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(SiPt2)2]
_chemical_formula_sum '[Ca6 Si4 Pt8]'
_cell_volume [372.7112]
_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  4  0.1148  0.5000  0.3818  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.1873  0.5000  0.7884  1
  Pt  Pt3  4  0.0971  0.0000  0.6350  1
  Pt  Pt4  4  0.2180  0.5000  0.0872  1
]