data_[Ca8Ge8Pt4]
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/m]
_cell_length_a [10.7401]
_cell_length_b [4.4058]
_cell_length_c [10.6127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ge2Pt]
_chemical_formula_sum '[Ca8 Ge8 Pt4]'
_cell_volume [442.8476]
_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  0.0063  0.0000  0.8268  1.0
  Ca  Ca1  4  0.1886  0.0000  0.6111  1.0
  Ge  Ge2  4  0.0158  0.5000  0.3861  1.0
  Ge  Ge3  4  0.1472  0.5000  0.0544  1.0
  Pt  Pt4  4  0.2266  0.5000  0.8442  1.0
]