data_V2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2WSe
_chemical_formula_sum   'V2 W1 Se1'
_cell_volume   61.76
_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  0.56  0.0  0.25  1.0
  V  V2  1  0.0  0.0  0.3  1.0
  W  W3  1  0.56  0.0  0.31  1.0
  Se  Se0  1  0.0  0.0  0.89  1.0

data_V2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2WSe
_chemical_formula_sum   'V2 W1 Se1'
_cell_volume   61.76
_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  0.3  1.0
  V  V1  1  0.56  0.0  0.25  1.0
  W  W2  1  0.56  0.0  0.31  1.0
  Se  Se3  1  0.0  0.0  0.89  1.0

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