data_Nb2BP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   42.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2BP
_chemical_formula_sum   'Nb2 B1 P1'
_cell_volume   52.06
_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  0.0  0.0  0.66  1.0
  Nb  Nb2  1  0.71  0.0  0.35  1.0
  B  B0  1  0.0  0.0  0.2  1.0
  P  P3  1  0.71  0.0  0.93  1.0

data_Nb2BP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.44
_cell_length_c   4.75
_cell_angle_alpha   111.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2BP
_chemical_formula_sum   'Nb2 B1 P1'
_cell_volume   52.06
_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  0.66  0.66  1.0
  Nb  Nb1  1  0.29  0.35  0.35  1.0
  B  B2  1  0.0  0.2  0.2  1.0
  P  P3  1  0.29  0.93  0.93  1.0

Nb Nb B P