data_Li2TeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   126.81
_cell_angle_beta   126.81
_cell_angle_gamma   78.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TeRh
_chemical_formula_sum   'Li2 Te1 Rh1'
_cell_volume   61.8
_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
  Li  Li1  1  0.0  0.08  0.79  1.0
  Te  Te3  1  0.08  0.0  0.79  1.0
  Rh  Rh2  1  0.0  0.0  0.59  1.0

data_Li2TeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   4.64
_cell_angle_alpha   116.6
_cell_angle_beta   116.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TeRh
_chemical_formula_sum   'Li2 Te1 Rh1'
_cell_volume   61.8
_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
  Li  Li1  1  0.72  0.79  0.72  1.0
  Te  Te2  1  0.79  0.72  0.72  1.0
  Rh  Rh3  1  0.59  0.59  0.59  1.0

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