data_LiVCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   132.78
_cell_angle_beta   132.78
_cell_angle_gamma   69.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVCd2
_chemical_formula_sum   'Li1 V1 Cd2'
_cell_volume   74.45
_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  0.0  1.0
  V  V3  1  0.08  0.0  0.14  1.0
  Cd  Cd0  1  0.0  0.0  0.29  1.0
  Cd  Cd1  1  0.0  0.08  0.14  1.0

data_LiVCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.2
_cell_angle_alpha   113.61
_cell_angle_beta   113.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVCd2
_chemical_formula_sum   'Li1 V1 Cd2'
_cell_volume   74.45
_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
  V  V1  1  0.86  0.0  0.94  1.0
  Cd  Cd2  1  0.71  0.0  0.71  1.0
  Cd  Cd3  1  0.94  0.08  0.94  1.0

Li V Cd Cd