data_K3NdV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   6.07
_cell_length_c   10.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3NdV2O8
_chemical_formula_sum   'K6 Nd2 V4 O16'
_cell_volume   468.75
_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  0.55  0.84  1.0
  K  K1  1  0.93  0.52  0.21  1.0
  K  K2  1  0.29  0.55  0.2  1.0
  K  K3  1  0.22  0.52  0.85  1.0
  K  K4  1  0.89  0.55  0.96  1.0
  K  K5  1  0.62  0.52  0.09  1.0
  Nd  Nd6  1  0.76  0.52  0.12  1.0
  Nd  Nd7  1  0.76  0.55  0.92  1.0
  V  V8  1  0.61  0.55  0.15  1.0
  V  V9  1  0.91  0.52  0.9  1.0
  V  V10  1  0.37  0.55  0.75  1.0
  V  V11  1  0.14  0.52  0.3  1.0
  O  O12  1  0.5  0.96  0.72  1.0
  O  O13  1  0.01  0.99  0.33  1.0
  O  O14  1  0.01  0.11  0.33  1.0
  O  O15  1  0.5  0.08  0.72  1.0
  O  O16  1  0.06  0.55  0.81  1.0
  O  O17  1  0.46  0.52  0.24  1.0
  O  O18  1  0.32  0.55  0.09  1.0
  O  O19  1  0.2  0.52  0.95  1.0
  O  O20  1  0.55  0.95  0.38  1.0
  O  O21  1  0.96  0.99  0.67  1.0
  O  O22  1  0.96  0.12  0.67  1.0
  O  O23  1  0.55  0.08  0.38  1.0
  O  O24  1  0.46  0.52  0.7  1.0
  O  O25  1  0.05  0.55  0.35  1.0
  O  O26  1  0.09  0.52  0.81  1.0
  O  O27  1  0.42  0.55  0.24  1.0

data_K3NdV2O8
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.07
_cell_length_b   7.69
_cell_length_c   10.05
_cell_angle_alpha   90.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K3NdV2O8
_chemical_formula_sum   'K6 Nd2 V4 O16'
_cell_volume   468.75
_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  0.02  0.14  0.44  1.0
  K  K1  2  0.02  0.54  0.68  1.0
  K  K2  2  0.02  0.83  0.32  1.0
  Nd  Nd3  2  0.02  1.0  0.4  1.0
  V  V4  2  0.02  0.61  0.23  1.0
  V  V5  2  0.02  0.85  0.62  1.0
  O  O6  2  0.02  0.29  0.83  1.0
  O  O7  2  0.02  0.3  0.28  1.0
  O  O8  2  0.02  0.56  0.57  1.0
  O  O9  2  0.02  0.67  0.71  1.0
  O  O10  2  0.42  0.8  0.85  1.0
  O  O11  2  0.42  0.75  0.19  1.0
  O  O12  2  0.45  0.2  0.15  1.0
  O  O13  2  0.46  0.25  0.81  1.0

K K K K K K Nd Nd V V V V O O O O O O O O O O O O O O O O
K K K K K K Nd Nd V V V V O O O O O O O O O O O O O O O O 0 24 o o o 0 7 o o o 1 6 o o o 1 25 + o o 2 18 o o o 2 27 o o o 3 26 o o o 3 19 o o o 4 9 o o o 4 7 o o o 5 8 o o o 5 6 o o o 6 8 o o o 7 9 o o o 10 24 o o o 11 25 o o o 12 15 o + o 13 14 o + o 16 26 o o o 17 27 o o o 20 23 o + o 21 22 o + o 