data_LiCd2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   134.74
_cell_angle_beta   129.61
_cell_angle_gamma   70.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Te
_chemical_formula_sum   'Li1 Cd2 Te1'
_cell_volume   96.81
_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  Li2  1  0.0  0.0  0.56  1.0
  Cd  Cd0  1  0.0  0.0  0.02  1.0
  Cd  Cd1  1  0.0  0.41  0.29  1.0
  Te  Te3  1  0.17  0.0  0.38  1.0

data_LiCd2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.81
_cell_length_c   5.65
_cell_angle_alpha   115.19
_cell_angle_beta   112.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Te
_chemical_formula_sum   'Li1 Cd2 Te1'
_cell_volume   96.81
_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  0.44  0.44  0.44  1.0
  Cd  Cd1  1  0.71  0.11  0.11  1.0
  Cd  Cd2  1  0.98  0.98  0.98  1.0
  Te  Te3  1  0.79  0.62  0.79  1.0

Li Cd Cd Te
Li Cd Cd Te 0 3 o o o 1 2 o o o 1 3 o o o 