data_LiTe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTe2Pb
_chemical_formula_sum   'Li1 Te2 Pb1'
_cell_volume   115.97
_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  Te2  1  0.68  0.92  0.08  1.0
  Te  Te3  1  0.68  0.08  0.08  1.0
  Pb  Pb1  1  0.35  0.0  0.0  1.0

data_LiTe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   102.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTe2Pb
_chemical_formula_sum   'Li1 Te2 Pb1'
_cell_volume   115.97
_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  0.08  0.68  0.08  1.0
  Te  Te2  1  0.08  0.68  0.92  1.0
  Pb  Pb3  1  -0.0  0.35  0.0  1.0

Li Te Te Pb