data_Nb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.36
_cell_angle_alpha   100.34
_cell_angle_beta   100.34
_cell_angle_gamma   40.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2P
_chemical_formula_sum   'Nb4 P2'
_cell_volume   98.2
_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
  Nb  Nb0  1  0.22  0.0  0.09  1.0
  Nb  Nb1  1  0.83  0.0  0.28  1.0
  Nb  Nb2  1  0.04  0.0  0.44  1.0
  Nb  Nb3  1  0.27  0.0  0.53  1.0
  P  P4  1  0.33  0.0  0.5  1.0
  P  P5  1  0.77  0.0  0.08  1.0

data_Nb2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.94
_cell_length_c   6.36
_cell_angle_alpha   100.34
_cell_angle_beta   90.0
_cell_angle_gamma   110.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2P
_chemical_formula_sum   'Nb4 P2'
_cell_volume   98.2
_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
  Nb  Nb0  1  0.0  0.17  0.72  1.0
  Nb  Nb1  1  0.0  0.73  0.47  1.0
  Nb  Nb2  1  0.0  0.78  0.91  1.0
  Nb  Nb3  1  0.0  0.96  0.56  1.0
  P  P4  1  0.0  0.23  0.92  1.0
  P  P5  1  0.0  0.67  0.5  1.0

Nb Nb Nb Nb P P