data_[Ba8Ge4O2]
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 [P2_1/m]
_cell_length_a [7.9886]
_cell_length_b [7.5787]
_cell_length_c [8.6217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4Ge2O]
_chemical_formula_sum '[Ba8 Ge4 O2]'
_cell_volume [506.6656]
_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  4  0.2281  0.5007  0.4371  1
  Ba  Ba1  2  0.0900  0.7500  0.9647  1
  Ba  Ba2  2  0.4377  0.2500  0.1134  1
  Ge  Ge3  2  0.1568  0.2500  0.7525  1
  Ge  Ge4  2  0.4907  0.2500  0.7318  1
  O  O5  2  0.1844  0.2500  0.2419  1
]