data_LiTeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.84
_cell_angle_alpha   100.04
_cell_angle_beta   100.04
_cell_angle_gamma   39.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeRh2
_chemical_formula_sum   'Li1 Te1 Rh2'
_cell_volume   63.95
_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
  Te  Te3  1  0.88  0.0  0.38  1.0
  Rh  Rh1  1  0.45  0.0  0.59  1.0
  Rh  Rh2  1  0.3  0.0  0.17  1.0

data_LiTeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.6
_cell_length_c   4.84
_cell_angle_alpha   100.04
_cell_angle_beta   90.0
_cell_angle_gamma   109.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeRh2
_chemical_formula_sum   'Li1 Te1 Rh2'
_cell_volume   63.95
_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
  Te  Te1  1  0.0  0.12  0.62  1.0
  Rh  Rh2  1  0.0  0.55  0.41  1.0
  Rh  Rh3  1  0.0  0.7  0.83  1.0

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