data_VSe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSe2Br
_chemical_formula_sum   'V1 Se2 Br1'
_cell_volume   82.17
_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  0.0  1.0
  Se  Se1  1  0.25  0.72  0.8  1.0
  Se  Se2  1  0.25  0.28  0.8  1.0
  Br  Br0  1  0.51  0.0  0.0  1.0

data_VSe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.01
_cell_length_c   5.21
_cell_angle_alpha   118.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSe2Br
_chemical_formula_sum   'V1 Se2 Br1'
_cell_volume   82.17
_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  0.0  1.0
  Se  Se1  1  0.8  0.28  0.53  1.0
  Se  Se2  1  0.8  0.72  0.97  1.0
  Br  Br3  1  -0.0  0.0  0.51  1.0

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