data_VPdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.36
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   98.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPdBr2
_chemical_formula_sum   'V1 Pd1 Br2'
_cell_volume   92.32
_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  0.13  0.0  0.43  1.0
  Pd  Pd2  1  0.34  0.68  0.57  1.0
  Br  Br0  1  0.18  0.68  0.59  1.0
  Br  Br1  1  0.56  0.0  0.97  1.0

data_VPdBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.56
_cell_length_c   7.79
_cell_angle_alpha   98.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPdBr2
_chemical_formula_sum   'V1 Pd1 Br2'
_cell_volume   92.32
_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  0.87  0.57  1.0
  Pd  Pd1  1  0.32  0.66  0.43  1.0
  Br  Br2  1  0.0  0.44  0.03  1.0
  Br  Br3  1  0.32  0.82  0.41  1.0

V Pd Br Br