data_LiCr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   145.06
_cell_angle_beta   137.61
_cell_angle_gamma   56.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Cd
_chemical_formula_sum   'Li1 Cr2 Cd1'
_cell_volume   54.15
_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  Li3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.88  0.32  1.0
  Cr  Cr2  1  0.56  0.0  0.27  1.0
  Cd  Cd0  1  0.0  0.0  0.6  1.0

data_LiCr2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.77
_cell_length_c   5.21
_cell_angle_alpha   111.2
_cell_angle_beta   107.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Cd
_chemical_formula_sum   'Li1 Cr2 Cd1'
_cell_volume   54.15
_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
  Cr  Cr1  1  0.29  0.73  0.29  1.0
  Cr  Cr2  1  0.68  0.56  0.56  1.0
  Cd  Cd3  1  0.4  0.4  0.4  1.0

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