data_Li2TaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaCd
_chemical_formula_sum   'Li2 Ta1 Cd1'
_cell_volume   72.01
_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  0.43  0.43  0.75  1.0
  Li  Li2  1  0.0  0.0  0.18  1.0
  Ta  Ta3  1  0.43  0.43  0.32  1.0
  Cd  Cd0  1  0.0  0.0  0.65  1.0

data_Li2TaCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2TaCd
_chemical_formula_sum   'Li4 Ta2 Cd2'
_cell_volume   144.02
_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  0.18  1.0
  Li  Li1  2  0.43  0.0  0.75  1.0
  Ta  Ta2  2  0.43  0.0  0.32  1.0
  Cd  Cd3  2  0.0  0.0  0.65  1.0

Li Li Ta Cd
Li Li Ta Cd 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 