data_Li2CdTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   137.92
_cell_angle_beta   137.28
_cell_angle_gamma   61.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdTe
_chemical_formula_sum   'Li2 Cd1 Te1'
_cell_volume   86.95
_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  Li1  1  0.0  0.11  0.97  1.0
  Li  Li2  1  0.0  0.0  0.57  1.0
  Cd  Cd0  1  0.0  0.0  0.42  1.0
  Te  Te3  1  0.08  0.0  0.93  1.0

data_Li2CdTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.21
_cell_length_c   5.78
_cell_angle_alpha   111.36
_cell_angle_beta   111.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdTe
_chemical_formula_sum   'Li2 Cd1 Te1'
_cell_volume   86.95
_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  0.57  0.57  1.0
  Li  Li1  1  0.89  0.86  0.86  1.0
  Cd  Cd2  1  0.0  0.42  0.42  1.0
  Te  Te3  1  0.0  0.93  0.85  1.0

Li Li Cd Te