data_Nb6P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.01
_cell_length_b   10.01
_cell_length_c   10.01
_cell_angle_alpha   28.9
_cell_angle_beta   28.9
_cell_angle_gamma   28.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6P7
_chemical_formula_sum   'Nb6 P7'
_cell_volume   207.16
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.0  0.0  0.95  1.0
  Nb  Nb1  1  0.0  0.0  0.81  1.0
  Nb  Nb2  1  0.0  0.0  0.05  1.0
  Nb  Nb3  1  0.0  0.0  0.7  1.0
  Nb  Nb4  1  0.0  0.0  0.86  1.0
  Nb  Nb5  1  0.0  0.0  0.89  1.0
  P  P6  1  0.0  0.46  0.75  1.0
  P  P7  1  0.27  0.27  0.75  1.0
  P  P8  1  0.73  0.27  0.75  1.0
  P  P9  1  0.0  0.54  0.0  1.0
  P  P10  1  0.27  0.73  0.0  1.0
  P  P11  1  0.73  0.73  0.0  1.0
  P  P12  1  0.0  0.0  0.0  1.0

data_Nb6P7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   10.01
_cell_angle_alpha   75.55
_cell_angle_beta   75.55
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6P7
_chemical_formula_sum   'Nb6 P7'
_cell_volume   207.16
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.0  0.05  0.95  1.0
  Nb  Nb1  1  0.0  0.11  0.89  1.0
  Nb  Nb2  1  0.0  0.14  0.86  1.0
  Nb  Nb3  1  0.0  0.19  0.81  1.0
  Nb  Nb4  1  0.0  0.3  0.7  1.0
  Nb  Nb5  1  0.0  0.95  0.05  1.0
  P  P6  1  0.0  0.0  0.0  1.0
  P  P7  1  0.27  1.0  0.0  1.0
  P  P8  1  0.27  1.0  0.47  1.0
  P  P9  1  0.46  1.0  0.54  1.0
  P  P10  1  0.54  0.25  0.21  1.0
  P  P11  1  0.73  0.25  0.75  1.0
  P  P12  1  0.73  0.25  0.29  1.0

Nb Nb Nb Nb Nb Nb P P P P P P P
Nb Nb Nb Nb Nb Nb P P P P P P P 0 5 o o o 0 12 o o + 0 10 o - + 1 4 o o o 1 3 o o o 1 8 - o o 2 12 o o o 2 10 o - o 3 8 - o o 4 5 o o o 6 7 o o o 9 11 - o o 10 12 o + o 