data_VZnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.17
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   96.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnSe2
_chemical_formula_sum   'V1 Zn1 Se2'
_cell_volume   66.27
_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  V2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.65  0.0  0.16  1.0
  Se  Se0  1  0.12  0.59  0.86  1.0
  Se  Se1  1  0.48  0.59  0.45  1.0

data_VZnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.3
_cell_length_c   6.36
_cell_angle_alpha   96.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnSe2
_chemical_formula_sum   'V1 Zn1 Se2'
_cell_volume   66.27
_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  0.0  1.0
  Zn  Zn1  1  0.0  0.35  0.84  1.0
  Se  Se2  1  0.41  0.52  0.55  1.0
  Se  Se3  1  0.41  0.88  0.14  1.0

V Zn Se Se