data_NbAs2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   3.5
_cell_length_c   12.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAs2P
_chemical_formula_sum   'Nb4 As8 P4'
_cell_volume   283.66
_cell_formula_units_Z   4
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  Nb8  1  0.25  0.88  0.95  1.0
  Nb  Nb9  1  0.44  0.63  0.22  1.0
  Nb  Nb10  1  0.21  0.63  0.59  1.0
  Nb  Nb11  1  0.02  0.88  0.32  1.0
  As  As0  1  0.37  0.88  0.27  1.0
  As  As1  1  0.32  0.63  1.0  1.0
  As  As2  1  0.09  0.63  0.27  1.0
  As  As3  1  0.14  0.88  0.54  1.0
  As  As4  1  0.31  0.88  0.73  1.0
  As  As5  1  0.37  0.63  0.46  1.0
  As  As6  1  0.15  0.63  0.81  1.0
  As  As7  1  0.08  0.88  0.08  1.0
  P  P12  1  0.96  0.88  0.36  1.0
  P  P13  1  0.73  0.63  0.62  1.0
  P  P14  1  0.5  0.63  0.18  1.0
  P  P15  1  0.73  0.88  0.91  1.0

data_NbAs2P
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.5
_cell_length_b   6.46
_cell_length_c   12.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbAs2P
_chemical_formula_sum   'Nb4 As8 P4'
_cell_volume   283.66
_cell_formula_units_Z   4
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
  Nb  Nb0  2  0.12  0.29  0.55  1.0
  Nb  Nb1  2  0.12  0.52  0.18  1.0
  As  As2  2  0.12  0.35  0.31  1.0
  As  As3  2  0.12  0.41  0.77  1.0
  As  As4  2  0.12  0.58  0.96  1.0
  As  As5  2  0.12  0.64  0.5  1.0
  P  P6  2  0.12  0.0  0.14  1.0
  P  P7  2  0.12  0.23  0.59  1.0

Nb Nb Nb Nb As As As As As As As As P P P P
Nb Nb Nb Nb As As As As As As As As P P P P 0 5 o o o 0 10 o o o 0 11 o o + 0 15 o o o 0 15 - o o 1 14 o o o 1 4 o o o 2 7 o o o 2 8 o o o 2 9 o o o 2 13 o o o 2 13 - o o 3 12 - o o 3 6 o o o 5 11 o o + 5 15 o o o 7 9 o o o 7 13 - o o 8 10 o o o 8 13 o o o 8 15 o o o 9 13 o o o 10 13 - o o 10 15 - o o 11 15 - o - 12 13 o o o 13 13 o + o 13 15 o o o 14 15 o o - 15 15 o + o 