data_[Ca8Ge12Pt36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4492]
_cell_length_b [7.8244]
_cell_length_c [10.1249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2(GePt3)3]
_chemical_formula_sum '[Ca8 Ge12 Pt36]'
_cell_volume [957.1849]
_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  0.1692  0.4158  0.2509  1
  Ge  Ge1  8  0.0906  0.2724  0.4984  1
  Ge  Ge2  4  0.2500  0.2500  0.0000  1
  Pt  Pt3  8  0.0590  0.4147  0.9245  1
  Pt  Pt4  8  0.1056  0.1889  0.7441  1
  Pt  Pt5  8  0.1058  0.0859  0.0688  1
  Pt  Pt6  8  0.2224  0.0813  0.4226  1
  Pt  Pt7  4  0.0000  0.1358  0.2500  1
]