data_Nb2BP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.19
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   101.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2BP
_chemical_formula_sum   'Nb2 B1 P1'
_cell_volume   55.85
_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  0.89  0.6  0.36  1.0
  Nb  Nb2  1  0.0  0.6  0.4  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P3  1  0.43  0.0  0.88  1.0

data_Nb2BP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.19
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   101.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2BP
_chemical_formula_sum   'Nb2 B1 P1'
_cell_volume   55.85
_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  0.6  0.4  1.0
  Nb  Nb1  1  0.89  0.6  0.36  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.43  0.0  0.88  1.0

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