data_VSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   149.98
_cell_angle_beta   67.45
_cell_angle_gamma   121.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSe
_chemical_formula_sum   'V3 Se3'
_cell_volume   107.23
_cell_formula_units_Z   3
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  0.64  0.53  0.54  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.64  0.47  0.54  1.0
  Se  Se0  1  0.0  0.0  0.36  1.0
  Se  Se1  1  0.0  0.09  0.92  1.0
  Se  Se2  1  0.0  0.44  0.92  1.0

data_VSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   6.22
_cell_length_c   6.33
_cell_angle_alpha   119.42
_cell_angle_beta   105.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSe
_chemical_formula_sum   'V3 Se3'
_cell_volume   107.23
_cell_formula_units_Z   3
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  1.0  1.0  1.0
  V  V1  1  0.83  0.93  0.29  1.0
  V  V2  1  0.89  0.99  0.36  1.0
  Se  Se3  1  0.0  0.64  0.64  1.0
  Se  Se4  1  0.09  0.17  0.17  1.0
  Se  Se5  1  0.44  0.51  0.51  1.0

V V V Se Se Se
V V V Se Se Se 0 2 o o o 1 4 o o - 3 5 o o o 3 5 o - - 