data_Nb2VP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53
_cell_length_b   7.53
_cell_length_c   7.53
_cell_angle_alpha   24.83
_cell_angle_beta   24.83
_cell_angle_gamma   24.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VP
_chemical_formula_sum   'Nb2 V1 P1'
_cell_volume   66.32
_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  0.0  0.64  1.0
  Nb  Nb1  1  0.0  0.0  0.25  1.0
  V  V3  1  0.0  0.0  0.95  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Nb2VP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   3.24
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   104.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2VP
_chemical_formula_sum   'Nb4 V2 P2'
_cell_volume   132.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.36  1.0
  Nb  Nb1  2  0.0  0.0  0.75  1.0
  V  V2  2  0.0  0.0  0.05  1.0
  P  P3  2  0.0  0.0  0.0  1.0

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