data_KBaBiTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.05
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaBiTeO6
_chemical_formula_sum   'K2 Ba2 Bi2 Te2 O12'
_cell_volume   315.54
_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
  K  K0  1  0.59  0.51  0.58  1.0
  K  K1  1  0.48  0.54  0.01  1.0
  Ba  Ba2  1  0.58  0.51  0.29  1.0
  Ba  Ba3  1  0.49  0.54  0.29  1.0
  Bi  Bi4  1  0.54  0.54  0.02  1.0
  Bi  Bi5  1  0.53  0.51  0.57  1.0
  Te  Te6  1  0.53  0.51  0.19  1.0
  Te  Te7  1  0.54  0.54  0.4  1.0
  O  O8  1  0.76  0.51  0.26  1.0
  O  O9  1  0.33  0.51  0.18  1.0
  O  O10  1  0.74  0.54  0.41  1.0
  O  O11  1  0.32  0.54  0.33  1.0
  O  O12  1  0.92  0.9  0.41  1.0
  O  O13  1  0.15  0.12  0.12  1.0
  O  O14  1  0.15  0.91  0.12  1.0
  O  O15  1  0.92  0.12  0.41  1.0
  O  O16  1  0.93  0.93  0.46  1.0
  O  O17  1  0.15  0.15  0.17  1.0
  O  O18  1  0.15  0.93  0.17  1.0
  O  O19  1  0.93  0.14  0.46  1.0

data_KBaBiTeO6
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.05
_cell_length_b   6.08
_cell_length_c   8.59
_cell_angle_alpha   90.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KBaBiTeO6
_chemical_formula_sum   'K2 Ba2 Bi2 Te2 O12'
_cell_volume   315.54
_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
  K  K0  2  0.01  0.94  0.21  1.0
  Ba  Ba1  2  0.01  0.95  0.5  1.0
  Bi  Bi2  2  0.01  0.01  0.22  1.0
  Te  Te3  2  0.01  0.01  0.61  1.0
  O  O4  2  0.01  0.21  0.62  1.0
  O  O5  2  0.01  0.78  0.54  1.0
  O  O6  2  0.38  0.38  0.62  1.0
  O  O7  2  0.38  0.61  0.33  1.0
  O  O8  2  0.4  0.62  0.38  1.0
  O  O9  2  0.41  0.39  0.67  1.0

K K Ba Ba Bi Bi Te Te O O O O O O O O O O O O
K K Ba Ba Bi Bi Te Te O O O O O O O O O O O O 0 5 o o o 1 4 o o o 2 3 o o o 2 6 o o o 2 7 o o o 2 8 o o o 2 10 o o o 3 6 o o o 3 7 o o o 3 9 o o o 3 11 o o o 6 9 o o o 7 10 o o o 8 10 o o o 9 11 o o o 12 16 o o o 13 17 o o o 14 18 o o o 15 19 o o o 