data_RhPbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RhPbBr2
_chemical_formula_sum   'Rh1 Pb1 Br2'
_cell_volume   112.01
_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
  Rh  Rh3  1  0.0  0.0  0.01  1.0
  Pb  Pb2  1  0.43  0.0  0.17  1.0
  Br  Br0  1  0.43  0.0  0.11  1.0
  Br  Br1  1  0.0  0.0  0.11  1.0

data_RhPbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RhPbBr2
_chemical_formula_sum   'Rh1 Pb1 Br2'
_cell_volume   112.01
_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
  Rh  Rh0  1  0.0  0.0  0.01  1.0
  Pb  Pb1  1  0.43  0.0  0.17  1.0
  Br  Br2  1  0.0  0.0  0.11  1.0
  Br  Br3  1  0.43  0.0  0.11  1.0

Rh Pb Br Br
Rh Pb Br Br 0 3 o o o 1 2 o o o 