data_Nb3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   116.44
_cell_angle_beta   116.44
_cell_angle_gamma   116.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3P
_chemical_formula_sum   'Nb3 P1'
_cell_volume   66.78
_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  0.79  0.73  0.99  1.0
  Nb  Nb1  1  0.0  0.55  0.99  1.0
  Nb  Nb2  1  0.21  0.73  0.99  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Nb3P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   116.44
_cell_angle_beta   101.01
_cell_angle_gamma   101.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3P
_chemical_formula_sum   'Nb3 P1'
_cell_volume   66.78
_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  0.99  0.2  0.26  1.0
  Nb  Nb1  1  0.99  0.79  0.26  1.0
  Nb  Nb2  1  0.99  0.99  0.44  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Nb Nb Nb P
Nb Nb Nb P 0 3 + + + 1 2 o o o 