data_[Ge8Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5431]
_cell_length_b [12.2572]
_cell_length_c [7.6738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ge2Pt3]
_chemical_formula_sum '[Ge8 Pt12]'
_cell_volume [333.2626]
_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
[
  Ge  Ge0  4  0.0000  0.2445  0.7500  1.0
  Ge  Ge1  4  0.0000  0.5000  0.0000  1.0
  Pt  Pt2  8  0.0000  0.1606  0.0581  1.0
  Pt  Pt3  4  0.0000  0.0337  0.7500  1.0
]