data_BaGeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   48.39
_cell_angle_beta   48.39
_cell_angle_gamma   48.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGeO3
_chemical_formula_sum   'Ba2 Ge2 O6'
_cell_volume   142.88
_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  1  0.0  0.0  0.11  1.0
  Ba  Ba1  1  0.0  0.0  0.15  1.0
  Ge  Ge2  1  0.0  0.0  0.45  1.0
  Ge  Ge3  1  0.0  0.0  0.81  1.0
  O  O4  1  0.64  0.43  0.36  1.0
  O  O5  1  0.53  0.47  0.36  1.0
  O  O6  1  0.82  0.09  0.36  1.0
  O  O7  1  0.18  0.91  0.9  1.0
  O  O8  1  0.47  0.53  0.9  1.0
  O  O9  1  0.36  0.57  0.9  1.0

data_BaGeO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   6.53
_cell_angle_alpha   65.8
_cell_angle_beta   65.8
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaGeO3
_chemical_formula_sum   'Ba2 Ge2 O6'
_cell_volume   142.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.48  0.02  1.0
  Ge  Ge1  2  0.0  0.18  0.32  1.0
  O  O2  2  0.09  0.73  0.85  1.0
  O  O3  2  0.43  0.73  0.69  1.0
  O  O4  2  0.47  0.73  0.76  1.0

Ba Ba Ge Ge O O O O O O