data_LiCdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   7.54
_cell_angle_alpha   31.24
_cell_angle_beta   31.24
_cell_angle_gamma   31.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdBr2
_chemical_formula_sum   'Li1 Cd1 Br2'
_cell_volume   102.24
_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
  Cd  Cd2  1  0.0  0.0  0.75  1.0
  Br  Br0  1  0.0  0.0  0.68  1.0
  Br  Br1  1  0.0  0.0  0.82  1.0

data_LiCdBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.03
_cell_length_b   4.06
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   108.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCdBr2
_chemical_formula_sum   'Li2 Cd2 Br4'
_cell_volume   204.49
_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  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.25  1.0
  Br  Br2  2  0.0  0.0  0.18  1.0
  Br  Br3  2  0.0  0.0  0.32  1.0

Li Cd Br Br
Li Cd Br Br 0 3 o o - 1 2 o o o 1 3 o o o 