data_LiTl2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.61
_cell_angle_alpha   107.0
_cell_angle_beta   107.0
_cell_angle_gamma   36.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Rh
_chemical_formula_sum   'Li1 Tl2 Rh1'
_cell_volume   78.45
_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  0.28  0.0  0.2  1.0
  Tl  Tl2  1  0.11  0.0  0.24  1.0
  Tl  Tl3  1  0.57  0.0  0.14  1.0
  Rh  Rh1  1  0.62  0.0  0.99  1.0

data_LiTl2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.61
_cell_length_c   5.51
_cell_angle_alpha   107.0
_cell_angle_beta   108.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Rh
_chemical_formula_sum   'Li1 Tl2 Rh1'
_cell_volume   78.45
_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  0.2  0.28  1.0
  Tl  Tl1  1  0.0  0.14  0.57  1.0
  Tl  Tl2  1  0.0  0.24  0.11  1.0
  Rh  Rh3  1  0.0  0.99  0.62  1.0

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