data_BaNb4O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNb4O6
_chemical_formula_sum   'Ba1 Nb4 O6'
_cell_volume   149.44
_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  1  0.0  0.0  0.15  1.0
  Nb  Nb1  1  0.12  0.0  0.0  1.0
  Nb  Nb2  1  0.0  0.12  0.0  1.0
  Nb  Nb3  1  0.12  0.12  0.26  1.0
  Nb  Nb4  1  0.12  0.12  0.05  1.0
  O  O5  1  0.12  0.12  0.15  1.0
  O  O6  1  0.12  0.0  0.17  1.0
  O  O7  1  0.0  0.12  0.17  1.0
  O  O8  1  0.12  0.0  0.13  1.0
  O  O9  1  0.0  0.12  0.13  1.0
  O  O10  1  0.0  0.0  0.0  1.0

data_BaNb4O6
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNb4O6
_chemical_formula_sum   'Ba2 Nb8 O12'
_cell_volume   298.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.15  1.0
  Nb  Nb1  4  0.06  0.06  -0.0  1.0
  Nb  Nb2  2  0.12  0.0  0.05  1.0
  Nb  Nb3  2  0.12  0.0  0.26  1.0
  O  O4  4  0.06  0.06  0.13  1.0
  O  O5  4  0.06  0.06  0.17  1.0
  O  O6  2  0.0  0.0  0.0  1.0
  O  O7  2  0.12  0.0  0.15  1.0

Ba Nb Nb Nb Nb O O O O O O
Ba Nb Nb Nb Nb O O O O O O 0 9 o o o 0 8 o o o 0 7 o o o 0 6 o o o 1 10 o o o 1 4 o o o 2 10 o o o 2 4 o o o 3 7 o o o 3 6 o o o 3 5 o o o 5 9 o o o 5 7 o o o 5 8 o o o 5 6 o o o 6 8 o o o 7 9 o o o 