data_LiCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   126.56
_cell_angle_beta   126.56
_cell_angle_gamma   78.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdTe2
_chemical_formula_sum   'Li1 Cd1 Te2'
_cell_volume   104.0
_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  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.25  1.0
  Te  Te2  1  0.47  0.0  0.12  1.0
  Te  Te3  1  0.0  0.47  0.12  1.0

data_LiCdTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   129.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCdTe2
_chemical_formula_sum   'Li2 Cd2 Te4'
_cell_volume   207.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.25  0.5  0.75  1.0
  Te  Te2  4  0.11  0.24  0.35  1.0

Li Cd Te Te