data_VP2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   133.06
_cell_angle_beta   133.06
_cell_angle_gamma   68.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VP2Se
_chemical_formula_sum   'V1 P2 Se1'
_cell_volume   60.46
_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  0.02  1.0
  P  P0  1  0.0  0.94  0.01  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.94  0.0  0.01  1.0

data_VP2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   4.87
_cell_angle_alpha   113.47
_cell_angle_beta   113.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VP2Se
_chemical_formula_sum   'V1 P2 Se1'
_cell_volume   60.46
_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  0.98  0.0  0.98  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.93  0.94  0.93  1.0
  Se  Se3  1  0.99  0.0  0.93  1.0

V P P Se