data_As2RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   4.56
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RhBr
_chemical_formula_sum   'As2 Rh1 Br1'
_cell_volume   72.78
_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
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.62  0.28  0.0  1.0
  Rh  Rh3  1  0.0  0.28  0.46  1.0
  Br  Br2  1  0.62  0.0  0.46  1.0

data_As2RhBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.56
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RhBr
_chemical_formula_sum   'As2 Rh1 Br1'
_cell_volume   72.78
_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
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.62  0.28  0.0  1.0
  Rh  Rh2  1  0.0  0.28  0.46  1.0
  Br  Br3  1  0.62  0.0  0.46  1.0

As As Rh Br
As As Rh Br 0 1 - o o 2 3 - o o 