data_Rh2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.19
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   99.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh2AuBr
_chemical_formula_sum   'Rh2 Au1 Br1'
_cell_volume   70.39
_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  Rh2  1  0.47  0.1  0.77  1.0
  Rh  Rh3  1  0.08  0.0  0.64  1.0
  Au  Au0  1  0.69  0.1  0.1  1.0
  Br  Br1  1  0.04  0.0  0.37  1.0

data_Rh2AuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.19
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   99.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh2AuBr
_chemical_formula_sum   'Rh2 Au1 Br1'
_cell_volume   70.39
_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  0.08  0.0  0.64  1.0
  Rh  Rh1  1  0.47  0.1  0.77  1.0
  Au  Au2  1  0.69  0.1  0.1  1.0
  Br  Br3  1  0.04  0.0  0.37  1.0

Rh Rh Au Br
Rh Rh Au Br 0 1 o o o 0 2 o o + 1 3 o o o 2 3 + o o 