data_VPb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   154.82
_cell_angle_beta   144.97
_cell_angle_gamma   43.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPb2Br
_chemical_formula_sum   'V1 Pb2 Br1'
_cell_volume   108.5
_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
  Pb  Pb1  1  0.66  0.0  0.66  1.0
  Pb  Pb2  1  0.0  0.3  0.43  1.0
  Br  Br0  1  0.0  0.0  0.09  1.0

data_VPb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.6
_cell_length_c   7.64
_cell_angle_alpha   107.52
_cell_angle_beta   102.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPb2Br
_chemical_formula_sum   'V1 Pb2 Br1'
_cell_volume   108.5
_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
  Pb  Pb1  1  0.0  0.66  1.0  1.0
  Pb  Pb2  1  0.7  0.13  0.13  1.0
  Br  Br3  1  0.0  0.09  0.09  1.0

V Pb Pb Br