data_[Ca8Sn12Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4710]
_cell_length_b [19.5899]
_cell_length_c [7.6508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca2Sn3Pt2]
_chemical_formula_sum '[Ca8 Sn12 Pt8]'
_cell_volume [670.1157]
_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  0.0000  0.0547  0.2500  1
  Ca  Ca1  4  0.0000  0.1635  0.7500  1
  Sn  Sn2  8  0.0000  0.4323  0.0637  1
  Sn  Sn3  4  0.0000  0.2215  0.2500  1
  Pt  Pt4  8  0.0000  0.3020  0.5478  1
]