data_Bi2PdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   3.3
_cell_angle_alpha   106.18
_cell_angle_beta   106.18
_cell_angle_gamma   87.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2PdBr
_chemical_formula_sum   'Bi2 Pd1 Br1'
_cell_volume   106.19
_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  0.13  0.05  0.0  1.0
  Bi  Bi1  1  0.13  0.95  0.0  1.0
  Pd  Pd3  1  0.26  0.0  0.0  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_Bi2PdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   87.73
_cell_angle_beta   73.82
_cell_angle_gamma   73.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2PdBr
_chemical_formula_sum   'Bi2 Pd1 Br1'
_cell_volume   106.19
_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  0.87  0.95  1.0
  Bi  Bi1  1  -0.0  0.87  0.05  1.0
  Pd  Pd2  1  0.0  0.74  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Bi Bi Pd Br