data_VSiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiSe2
_chemical_formula_sum   'V1 Si1 Se2'
_cell_volume   75.17
_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  0.56  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Se  Se0  1  0.67  0.0  0.38  1.0
  Se  Se1  1  0.67  0.0  0.74  1.0

data_VSiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiSe2
_chemical_formula_sum   'V1 Si1 Se2'
_cell_volume   75.17
_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  0.56  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.67  0.0  0.38  1.0
  Se  Se3  1  0.67  0.0  0.74  1.0

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