data_Mn2NbP12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56
_cell_length_b   8.56
_cell_length_c   10.68
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   39.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbP12
_chemical_formula_sum   'Mn4 Nb2 P24'
_cell_volume   448.52
_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
  Mn  Mn0  1  0.77  0.21  0.44  1.0
  Mn  Mn1  1  0.02  0.21  0.37  1.0
  Mn  Mn2  1  0.71  0.79  0.18  1.0
  Mn  Mn3  1  0.46  0.79  0.25  1.0
  Nb  Nb4  1  0.9  0.87  0.41  1.0
  Nb  Nb5  1  0.58  0.13  0.22  1.0
  P  P6  1  0.45  0.12  0.33  1.0
  P  P7  1  0.35  0.12  0.49  1.0
  P  P8  1  0.04  0.88  0.3  1.0
  P  P9  1  0.13  0.88  0.14  1.0
  P  P10  1  0.18  0.61  0.7  1.0
  P  P11  1  0.61  0.61  0.12  1.0
  P  P12  1  0.3  0.39  0.93  1.0
  P  P13  1  0.87  0.39  0.51  1.0
  P  P14  1  0.87  0.29  0.77  1.0
  P  P15  1  0.92  0.29  0.04  1.0
  P  P16  1  0.61  0.71  0.85  1.0
  P  P17  1  0.56  0.71  0.58  1.0
  P  P18  1  0.48  1.0  0.58  1.0
  P  P19  1  0.31  1.0  0.23  1.0
  P  P20  1  0.0  0.0  0.04  1.0
  P  P21  1  0.17  0.0  0.39  1.0
  P  P22  1  0.5  0.84  0.22  1.0
  P  P23  1  0.29  0.84  0.59  1.0
  P  P24  1  0.98  0.16  0.4  1.0
  P  P25  1  0.19  0.16  0.03  1.0
  P  P26  1  0.49  0.97  0.1  1.0
  P  P27  1  0.3  0.97  0.72  1.0
  P  P28  1  0.99  0.03  0.53  1.0
  P  P29  1  0.18  0.03  0.91  1.0

data_Mn2NbP12
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.79
_cell_length_b   8.56
_cell_length_c   10.62
_cell_angle_alpha   66.68
_cell_angle_beta   74.19
_cell_angle_gamma   70.24
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mn2NbP12
_chemical_formula_sum   'Mn4 Nb2 P24'
_cell_volume   448.52
_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
  Mn  Mn0  2  0.21  0.89  0.87  1.0
  Mn  Mn1  2  0.21  0.57  0.94  1.0
  Nb  Nb2  2  0.13  0.93  0.09  1.0
  P  P3  2  0.0  0.47  0.27  1.0
  P  P4  2  0.0  0.65  0.92  1.0
  P  P5  2  0.03  0.13  0.4  1.0
  P  P6  2  0.03  0.94  0.78  1.0
  P  P7  2  0.12  0.18  0.99  1.0
  P  P8  2  0.12  0.44  0.83  1.0
  P  P9  2  0.16  0.7  0.91  1.0
  P  P10  2  0.16  0.11  0.28  1.0
  P  P11  2  0.29  0.04  0.54  1.0
  P  P12  2  0.29  0.26  0.27  1.0
  P  P13  2  0.39  0.68  0.8  1.0
  P  P14  2  0.39  0.67  0.38  1.0

Mn Mn Mn Mn Nb Nb P P P P P P P P P P P P P P P P P P P P P P P P
Mn Mn Mn Mn Nb Nb P P P P P P P P P P P P P P P P P P P P P P P P 0 24 o o o 0 28 o o o 0 4 o - o 0 8 + - o 1 24 - o o 1 13 - o o 1 21 o o o 2 26 o o o 2 22 o o o 2 5 o + o 2 6 o + o 3 22 o o o 3 11 o o o 3 19 o o o 4 8 + o o 4 28 o + o 4 10 + o o 5 26 o - o 5 6 o o o 5 12 o o - 6 26 o - o 6 22 o - o 6 19 o - o 6 7 o o o 7 18 o - o 7 10 o o o 8 9 o o o 8 21 o + o 8 28 - + o 8 24 - + o 9 20 o + o 9 12 o o - 10 18 o - o 10 18 - o o 10 13 - o o 10 12 o o o 10 14 o o o 10 14 - + o 10 27 o o o 10 23 o o o 10 16 o o o 10 28 - + o 10 20 o + + 10 29 o + o 11 22 o o o 11 12 o o - 11 15 o o o 12 27 o - o 12 18 o - o 12 25 o o + 12 29 o o o 12 26 o - + 12 16 o - o 12 16 - o o 12 14 - o o 12 20 + o + 12 20 o + + 13 24 o o o 13 17 o o o 14 28 o o o 14 27 + - o 14 29 + o o 14 16 o o o 15 20 + o o 15 25 + o o 15 29 + o - 16 27 o o o 16 29 o + o 16 26 o o + 17 27 o o o 17 23 o o o 17 18 o o o 19 22 o o o 21 24 - o o 23 28 - + o 23 27 o o o 25 29 o o - 25 26 o - o 