data_V2ZnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14
_cell_length_b   8.14
_cell_length_c   8.14
_cell_angle_alpha   20.96
_cell_angle_beta   20.96
_cell_angle_gamma   20.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2ZnSe
_chemical_formula_sum   'V2 Zn1 Se1'
_cell_volume   60.51
_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  V1  1  0.0  0.0  0.04  1.0
  V  V2  1  0.0  0.0  0.85  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Se  Se0  1  0.0  0.0  0.94  1.0

data_V2ZnSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   2.96
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   102.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2ZnSe
_chemical_formula_sum   'V4 Zn2 Se2'
_cell_volume   121.02
_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
  V  V0  2  0.0  0.0  0.15  1.0
  V  V1  2  0.0  0.0  0.96  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0
  Se  Se3  2  0.0  0.0  0.06  1.0

V V Zn Se