data_V2ReSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.53
_cell_angle_alpha   102.21
_cell_angle_beta   102.21
_cell_angle_gamma   39.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2ReSe
_chemical_formula_sum   'V2 Re1 Se1'
_cell_volume   58.17
_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  V2  1  0.23  0.0  0.16  1.0
  V  V3  1  0.37  0.0  0.25  1.0
  Re  Re0  1  0.8  0.0  0.21  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_V2ReSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.53
_cell_length_c   4.57
_cell_angle_alpha   102.21
_cell_angle_beta   109.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2ReSe
_chemical_formula_sum   'V2 Re1 Se1'
_cell_volume   58.17
_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  0.16  0.23  1.0
  V  V1  1  0.0  0.25  0.37  1.0
  Re  Re2  1  0.0  0.21  0.8  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

V V Re Se
V V Re Se 0 1 o o o 0 3 o o o 2 3 + o o 