data_Li2TaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   121.16
_cell_angle_beta   121.16
_cell_angle_gamma   88.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaCd
_chemical_formula_sum   'Li2 Ta1 Cd1'
_cell_volume   69.91
_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  0.29  0.67  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.29  0.0  0.67  1.0
  Cd  Cd0  1  0.0  0.0  0.35  1.0

data_Li2TaCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.65
_cell_angle_alpha   119.42
_cell_angle_beta   119.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaCd
_chemical_formula_sum   'Li2 Ta1 Cd1'
_cell_volume   69.91
_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
  Li  Li1  1  0.61  0.29  0.61  1.0
  Ta  Ta2  1  0.33  0.0  0.61  1.0
  Cd  Cd3  1  0.65  0.0  0.65  1.0

Li Li Ta Cd