data_LiRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.62
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRh2Br
_chemical_formula_sum   'Li1 Rh2 Br1'
_cell_volume   63.05
_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  Li1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.8  0.31  0.11  1.0
  Rh  Rh3  1  0.19  0.31  0.43  1.0
  Br  Br0  1  0.49  0.0  0.27  1.0

data_LiRh2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.55
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRh2Br
_chemical_formula_sum   'Li1 Rh2 Br1'
_cell_volume   63.05
_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  0.0  0.0  1.0
  Rh  Rh1  1  0.2  0.89  0.69  1.0
  Rh  Rh2  1  0.81  0.57  0.69  1.0
  Br  Br3  1  0.51  0.73  0.0  1.0

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