data_[Ca8Sb4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9542]
_cell_length_b [5.6641]
_cell_length_c [8.3280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2SbPt2]
_chemical_formula_sum '[Ca8 Sb4 Pt8]'
_cell_volume [456.1801]
_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  0.1509  0.3553  0.1528  1.0
  Sb  Sb1  4  0.0000  0.1677  0.7500  1.0
  Pt  Pt2  8  0.1334  0.1271  0.4908  1.0
]