data_[Ba8Ge4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4711]
_cell_length_b [5.5208]
_cell_length_c [7.8499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2GeO3]
_chemical_formula_sum '[Ba8 Ge4 O12]'
_cell_volume [490.4742]
_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  8  0.1674  0.4898  0.0880  1
  Ge  Ge1  4  0.0000  0.0134  0.7500  1
  O  O2  8  0.1736  0.0122  0.6341  1
  O  O3  4  0.0000  0.3371  0.7500  1
]