data_[Ba4Ge4O12]
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_12_12_1]
_cell_length_a [4.6820]
_cell_length_b [5.8161]
_cell_length_c [13.1034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [BaGeO3]
_chemical_formula_sum '[Ba4 Ge4 O12]'
_cell_volume [356.8194]
_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  0.2231  0.1817  0.3610  1.0
  Ge  Ge1  4  0.1787  0.8093  0.5761  1.0
  O  O2  4  0.2058  0.2829  0.9492  1.0
  O  O3  4  0.2356  0.1046  0.5876  1.0
  O  O4  4  0.2492  0.6209  0.6760  1.0
]