data_Nb2VP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.3
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   100.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VP
_chemical_formula_sum   'Nb2 V1 P1'
_cell_volume   63.01
_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  0.95  0.15  0.78  1.0
  Nb  Nb1  1  0.97  0.15  0.31  1.0
  V  V3  1  0.96  0.0  0.55  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Nb2VP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.3
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   100.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VP
_chemical_formula_sum   'Nb2 V1 P1'
_cell_volume   63.01
_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  0.95  0.15  0.78  1.0
  Nb  Nb1  1  0.97  0.15  0.31  1.0
  V  V2  1  0.96  0.0  0.55  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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