data_[Ba10Ge7O3]
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 [P-6m2]
_cell_length_a [12.0804]
_cell_length_b [12.0804]
_cell_length_c [5.0407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ba10Ge7O3]
_chemical_formula_sum '[Ba10 Ge7 O3]'
_cell_volume [637.0602]
_cell_formula_units_Z [1]
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  3  0.1249  0.2497  0.0000  1.0
  Ba  Ba1  3  0.3393  0.1697  0.5000  1.0
  Ba  Ba2  3  0.5406  0.0812  0.0000  1.0
  Ba  Ba3  1  0.3333  0.6667  0.0000  1.0
  Ge  Ge4  6  0.1232  0.4558  0.5000  1.0
  Ge  Ge5  1  0.6667  0.3333  0.5000  1.0
  O  O6  3  0.2586  0.1293  0.0000  1.0
]