data_VPd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   6.79
_cell_angle_alpha   155.22
_cell_angle_beta   144.64
_cell_angle_gamma   43.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPd2Br
_chemical_formula_sum   'V1 Pd2 Br1'
_cell_volume   75.6
_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  0.6  1.0
  Pd  Pd1  1  0.0  0.0  0.12  1.0
  Pd  Pd2  1  0.46  0.0  0.19  1.0
  Br  Br0  1  0.0  0.06  0.3  1.0

data_VPd2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.12
_cell_length_c   6.79
_cell_angle_alpha   107.68
_cell_angle_beta   102.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPd2Br
_chemical_formula_sum   'V1 Pd2 Br1'
_cell_volume   75.6
_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  0.4  0.4  0.4  1.0
  Pd  Pd1  1  0.27  0.81  0.27  1.0
  Pd  Pd2  1  0.88  0.88  0.88  1.0
  Br  Br3  1  0.7  0.76  0.76  1.0

V Pd Pd Br