data_Hg2RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2RhBr
_chemical_formula_sum   'Hg2 Rh1 Br1'
_cell_volume   84.42
_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
  Hg  Hg1  1  0.44  0.13  0.72  1.0
  Hg  Hg2  1  0.44  0.87  0.72  1.0
  Rh  Rh3  1  0.88  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Hg2RhBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   111.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2RhBr
_chemical_formula_sum   'Hg2 Rh1 Br1'
_cell_volume   84.42
_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
  Hg  Hg0  1  0.72  0.44  0.13  1.0
  Hg  Hg1  1  0.72  0.44  0.87  1.0
  Rh  Rh2  1  0.0  0.88  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Hg Hg Rh Br
Hg Hg Rh Br 0 1 o - o 2 3 + o o 