data_[Ba4Ge8Pt8]
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 [C2/c]
_cell_length_a [11.5332]
_cell_length_b [6.9907]
_cell_length_c [8.1239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.0204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba(GePt)2]
_chemical_formula_sum '[Ba4 Ge8 Pt8]'
_cell_volume [478.8731]
_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
[
  Ba  Ba0  4  0.0000  0.3771  0.7500  1.0
  Ge  Ge1  8  0.1802  0.1516  0.5735  1.0
  Pt  Pt2  8  0.1151  0.1047  0.2072  1.0
]