data_Na2VBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   6.39
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   93.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2VBPO7
_chemical_formula_sum   'Na4 V2 B2 P2 O14'
_cell_volume   326.23
_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  0.09  0.37  0.95  1.0
  Na  Na1  1  0.09  0.22  0.95  1.0
  Na  Na2  1  0.85  0.17  0.3  1.0
  Na  Na3  1  0.85  0.03  0.3  1.0
  V  V4  1  0.03  0.79  0.13  1.0
  V  V5  1  0.91  0.6  0.12  1.0
  B  B6  1  0.46  0.79  0.76  1.0
  B  B7  1  0.48  0.6  0.49  1.0
  P  P8  1  0.24  0.6  0.1  1.0
  P  P9  1  0.7  0.79  0.16  1.0
  O  O10  1  0.8  0.6  0.51  1.0
  O  O11  1  0.15  0.79  0.74  1.0
  O  O12  1  0.19  0.79  0.42  1.0
  O  O13  1  0.75  0.6  0.83  1.0
  O  O14  1  0.42  0.79  0.85  1.0
  O  O15  1  0.52  0.6  0.4  1.0
  O  O16  1  0.58  0.79  0.89  1.0
  O  O17  1  0.36  0.6  0.36  1.0
  O  O18  1  0.76  0.6  0.43  1.0
  O  O19  1  0.19  0.79  0.82  1.0
  O  O20  1  0.91  0.35  0.22  1.0
  O  O21  1  0.91  0.85  0.22  1.0
  O  O22  1  0.04  0.55  0.03  1.0
  O  O23  1  0.04  0.04  0.03  1.0

data_Na2VBPO7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.52
_cell_length_b   6.39
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   93.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2VBPO7
_chemical_formula_sum   'Na4 V2 B2 P2 O14'
_cell_volume   326.23
_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  0.38  0.83  0.17  1.0
  Na  Na1  2  0.38  0.97  0.17  1.0
  V  V2  2  0.44  0.4  1.0  1.0
  B  B3  2  0.01  0.4  0.36  1.0
  P  P4  2  0.23  0.6  0.03  1.0
  O  O5  2  0.05  0.4  0.28  1.0
  O  O6  2  0.11  0.6  0.77  1.0
  O  O7  2  0.28  0.4  0.7  1.0
  O  O8  2  0.28  0.4  0.3  1.0
  O  O9  2  0.33  0.4  0.39  1.0
  O  O10  2  0.43  0.15  0.09  1.0
  O  O11  2  0.43  0.65  0.09  1.0

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