data_VZn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.61
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn2Se
_chemical_formula_sum   'V1 Zn2 Se1'
_cell_volume   62.89
_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  0.0  1.0
  Zn  Zn2  1  0.75  0.81  0.18  1.0
  Zn  Zn3  1  0.75  0.81  0.78  1.0
  Se  Se0  1  0.0  0.0  0.48  1.0

data_VZn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.61
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn2Se
_chemical_formula_sum   'V1 Zn2 Se1'
_cell_volume   62.89
_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  0.75  0.81  0.18  1.0
  Zn  Zn2  1  0.75  0.81  0.78  1.0
  Se  Se3  1  0.0  0.0  0.48  1.0

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