data_BiPdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   4.74
_cell_angle_alpha   108.15
_cell_angle_beta   108.15
_cell_angle_gamma   32.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPdBr2
_chemical_formula_sum   'Bi1 Pd1 Br2'
_cell_volume   118.63
_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
  Bi  Bi0  1  0.95  0.0  0.24  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.51  0.0  0.83  1.0
  Br  Br2  1  0.39  0.0  0.65  1.0

data_BiPdBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.74
_cell_length_c   7.0
_cell_angle_alpha   108.15
_cell_angle_beta   106.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPdBr2
_chemical_formula_sum   'Bi1 Pd1 Br2'
_cell_volume   118.63
_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
  Bi  Bi0  1  0.0  0.24  0.95  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.65  0.39  1.0
  Br  Br3  1  0.0  0.83  0.51  1.0

Bi Pd Br Br