data_LiTe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   5.48
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTe2Rh
_chemical_formula_sum   'Li1 Te2 Rh1'
_cell_volume   82.63
_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  0.96  1.0
  Te  Te2  1  0.91  0.0  0.19  1.0
  Te  Te3  1  0.22  0.74  0.51  1.0
  Rh  Rh1  1  0.89  0.74  0.66  1.0

data_LiTe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.53
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTe2Rh
_chemical_formula_sum   'Li1 Te2 Rh1'
_cell_volume   82.63
_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  0.72  0.04  0.0  1.0
  Te  Te1  1  0.09  0.81  0.0  1.0
  Te  Te2  1  0.78  0.49  0.26  1.0
  Rh  Rh3  1  0.11  0.34  0.26  1.0

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