data_[Ca8Ge4Pt8]
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 [9.7342]
_cell_length_b [5.6525]
_cell_length_c [7.9892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2GePt2]
_chemical_formula_sum '[Ca8 Ge4 Pt8]'
_cell_volume [429.8260]
_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  0.1521  0.3682  0.6531  1
  Ge  Ge1  4  0.0000  0.1239  0.2500  1
  Pt  Pt2  8  0.1285  0.1324  0.9999  1
]