data_VP2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VP2Se
_chemical_formula_sum   'V1 P2 Se1'
_cell_volume   66.48
_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
  V  V3  1  0.0  0.0  0.06  1.0
  P  P0  1  0.69  0.0  0.32  1.0
  P  P1  1  0.0  0.0  0.1  1.0
  Se  Se2  1  0.69  0.0  0.89  1.0

data_VP2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VP2Se
_chemical_formula_sum   'V1 P2 Se1'
_cell_volume   66.48
_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
  V  V0  1  0.0  0.0  0.06  1.0
  P  P1  1  0.0  0.0  0.1  1.0
  P  P2  1  0.69  0.0  0.32  1.0
  Se  Se3  1  0.69  0.0  0.89  1.0

V P P Se
V P P Se 0 2 o o o 0 1 - o o 0 3 - o - 1 2 o o o 1 2 + o o 1 1 o + o 1 1 + o o 2 3 - o - 