data_Li2CrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   132.02
_cell_angle_beta   132.02
_cell_angle_gamma   70.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrCd
_chemical_formula_sum   'Li2 Cr1 Cd1'
_cell_volume   70.77
_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  0.06  0.08  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.15  1.0
  Cd  Cd0  1  0.06  0.0  0.08  1.0

data_Li2CrCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.08
_cell_angle_alpha   113.99
_cell_angle_beta   113.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrCd
_chemical_formula_sum   'Li2 Cr1 Cd1'
_cell_volume   70.77
_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  0.01  0.08  0.01  1.0
  Cr  Cr2  1  0.15  0.15  0.15  1.0
  Cd  Cd3  1  0.08  0.01  0.01  1.0

Li Li Cr Cd
Li Li Cr Cd 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 