data_VPd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.21
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   98.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPd2Br
_chemical_formula_sum   'V1 Pd2 Br1'
_cell_volume   73.25
_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  0.92  0.0  0.76  1.0
  Pd  Pd1  1  0.9  0.0  0.38  1.0
  Pd  Pd2  1  0.21  0.6  0.92  1.0
  Br  Br0  1  0.86  0.6  0.84  1.0

data_VPd2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.38
_cell_length_c   6.84
_cell_angle_alpha   98.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPd2Br
_chemical_formula_sum   'V1 Pd2 Br1'
_cell_volume   73.25
_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  0.08  0.24  1.0
  Pd  Pd1  1  0.0  0.1  0.62  1.0
  Pd  Pd2  1  0.4  0.79  0.08  1.0
  Br  Br3  1  0.4  0.14  0.16  1.0

V Pd Pd Br