data_NbBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.03
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   107.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBP2
_chemical_formula_sum   'Nb1 B1 P2'
_cell_volume   51.88
_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  Nb1  1  0.19  0.0  0.53  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.82  0.51  0.14  1.0
  P  P3  1  0.94  0.51  0.92  1.0

data_NbBP2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.39
_cell_length_b   3.03
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   107.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbBP2
_chemical_formula_sum   'Nb1 B1 P2'
_cell_volume   51.88
_cell_formula_units_Z   1
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  1  0.19  0.0  0.53  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.82  0.5  0.14  1.0
  P  P3  1  0.94  0.5  0.92  1.0

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