data_Li2TlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29
_cell_length_b   9.29
_cell_length_c   9.29
_cell_angle_alpha   18.73
_cell_angle_beta   18.73
_cell_angle_gamma   18.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlRh
_chemical_formula_sum   'Li2 Tl1 Rh1'
_cell_volume   72.15
_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  0.21  1.0
  Li  Li1  1  0.0  0.0  0.15  1.0
  Tl  Tl3  1  0.0  0.0  0.68  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Li2TlRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   3.02
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2TlRh
_chemical_formula_sum   'Li4 Tl2 Rh2'
_cell_volume   144.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.79  1.0
  Li  Li1  2  0.0  0.0  0.85  1.0
  Tl  Tl2  2  0.0  0.0  0.32  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

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