data_LiRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   7.73
_cell_angle_alpha   153.65
_cell_angle_beta   153.56
_cell_angle_gamma   37.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRhBr2
_chemical_formula_sum   'Li1 Rh1 Br2'
_cell_volume   91.01
_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
  Li  Li2  1  0.0  0.0  0.46  1.0
  Rh  Rh3  1  0.0  0.77  0.17  1.0
  Br  Br0  1  0.0  0.0  0.16  1.0
  Br  Br1  1  0.76  0.0  0.84  1.0

data_LiRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.53
_cell_length_c   7.73
_cell_angle_alpha   103.22
_cell_angle_beta   103.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRhBr2
_chemical_formula_sum   'Li1 Rh1 Br2'
_cell_volume   91.01
_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
  Li  Li0  1  0.0  0.46  0.46  1.0
  Rh  Rh1  1  0.23  0.4  0.4  1.0
  Br  Br2  1  0.0  0.16  0.16  1.0
  Br  Br3  1  0.0  0.84  0.08  1.0

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