data_BPdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   5.05
_cell_angle_alpha   107.27
_cell_angle_beta   107.27
_cell_angle_gamma   25.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPdBr2
_chemical_formula_sum   'B1 Pd1 Br2'
_cell_volume   105.56
_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
  B  B0  1  0.12  0.0  0.81  1.0
  Pd  Pd3  1  0.07  0.0  0.6  1.0
  Br  Br1  1  0.92  0.0  0.69  1.0
  Br  Br2  1  0.55  0.0  0.92  1.0

data_BPdBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.05
_cell_length_c   7.08
_cell_angle_alpha   107.27
_cell_angle_beta   102.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPdBr2
_chemical_formula_sum   'B1 Pd1 Br2'
_cell_volume   105.56
_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
  B  B0  1  0.0  0.81  0.12  1.0
  Pd  Pd1  1  0.0  0.6  0.07  1.0
  Br  Br2  1  0.0  0.69  0.92  1.0
  Br  Br3  1  0.0  0.92  0.55  1.0

B Pd Br Br
B Pd Br Br 0 1 o o o 0 2 - o o 0 3 o o o 1 2 - o o 1 3 o o o 2 3 o o o 3 3 + - o 