data_[Ba2Ge8Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.9445]
_cell_length_b [6.9445]
_cell_length_c [8.9814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Ba(Ge2Pt3)2]
_chemical_formula_sum '[Ba2 Ge8 Pt12]'
_cell_volume [433.1412]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge1  8  0.1987  0.1987  0.3348  1.0
  Pt  Pt2  8  0.1553  0.1553  0.6192  1.0
  Pt  Pt3  4  0.0000  0.5000  0.0000  1.0
]