data_Na3BiBAsO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   7.33
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   91.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3BiBAsO7
_chemical_formula_sum   'Na6 Bi2 B2 As2 O14'
_cell_volume   375.68
_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
  Na  Na0  1  0.15  0.83  0.85  1.0
  Na  Na1  1  0.95  0.07  0.25  1.0
  Na  Na2  1  0.95  0.59  0.25  1.0
  Na  Na3  1  0.28  0.74  0.23  1.0
  Na  Na4  1  0.28  0.26  0.23  1.0
  Na  Na5  1  0.08  0.5  0.63  1.0
  Bi  Bi6  1  0.14  0.5  0.27  1.0
  Bi  Bi7  1  0.09  0.83  0.21  1.0
  B  B8  1  0.3  0.5  0.98  1.0
  B  B9  1  0.93  0.83  0.51  1.0
  As  As10  1  0.5  0.83  0.66  1.0
  As  As11  1  0.73  0.5  0.82  1.0
  O  O12  1  0.69  0.83  0.64  1.0
  O  O13  1  0.07  0.5  0.26  1.0
  O  O14  1  0.45  0.5  0.15  1.0
  O  O15  1  0.88  0.49  0.57  1.0
  O  O16  1  0.88  0.17  0.57  1.0
  O  O17  1  0.21  0.83  0.69  1.0
  O  O18  1  0.18  0.5  0.5  1.0
  O  O19  1  0.05  0.83  0.98  1.0
  O  O20  1  0.02  0.5  0.79  1.0
  O  O21  1  0.35  0.16  0.91  1.0
  O  O22  1  0.35  0.84  0.91  1.0
  O  O23  1  0.78  0.83  0.33  1.0
  O  O24  1  0.16  0.83  0.22  1.0
  O  O25  1  0.54  0.5  0.84  1.0

data_Na3BiBAsO7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.4
_cell_length_b   7.33
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   91.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na3BiBAsO7
_chemical_formula_sum   'Na6 Bi2 B2 As2 O14'
_cell_volume   375.68
_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
  Na  Na0  2  0.03  0.67  0.61  1.0
  Na  Na1  2  0.17  0.09  0.99  1.0
  Na  Na2  2  0.17  0.57  0.99  1.0
  Bi  Bi3  2  0.02  0.33  0.03  1.0
  B  B4  2  0.18  0.33  0.73  1.0
  As  As5  2  0.38  0.67  0.42  1.0
  O  O6  2  0.05  0.67  0.98  1.0
  O  O7  2  0.07  0.33  0.26  1.0
  O  O8  2  0.09  0.67  0.45  1.0
  O  O9  2  0.24  0.67  0.67  1.0
  O  O10  2  0.24  0.99  0.67  1.0
  O  O11  2  0.33  0.33  0.91  1.0
  O  O12  2  0.42  0.33  0.6  1.0

Na Na Na Na Na Na Bi Bi B B As As O O O O O O O O O O O O O O
Na Na Na Na Na Na Bi Bi B B As As O O O O O O O O O O O O O O 0 19 o o o 0 22 o o o 0 17 o o o 0 21 o + o 1 23 o - o 1 24 + - o 1 7 + - o 1 4 + o o 2 13 + o o 2 23 o o o 3 24 o o o 3 14 o o o 4 13 o o o 4 6 o o o 4 14 o o o 5 15 - o o 5 18 o o o 5 16 - o o 5 20 o o o 6 13 o o o 6 14 o o o 7 24 o o o 7 23 - o o 8 25 o o o 8 14 o o + 8 21 o o o 9 23 o o o 9 12 o o o 9 16 o + o 10 12 o o o 10 17 o o o 11 25 o o o 11 20 + o o 12 16 o + o 13 14 o o o 15 16 o o o 16 18 + o o 19 21 o + o 21 22 o - o 21 25 o o o 23 24 + o o 