data_LiCd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   4.15
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   102.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Br
_chemical_formula_sum   'Li1 Cd2 Br1'
_cell_volume   107.88
_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  0.27  0.0  0.16  1.0
  Cd  Cd1  1  0.52  0.0  0.77  1.0
  Cd  Cd2  1  0.44  0.08  1.0  1.0
  Br  Br0  1  0.36  0.08  0.23  1.0

data_LiCd2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.15
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   102.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Br
_chemical_formula_sum   'Li1 Cd2 Br1'
_cell_volume   107.88
_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  0.27  0.0  0.16  1.0
  Cd  Cd1  1  0.44  0.08  1.0  1.0
  Cd  Cd2  1  0.52  0.0  0.77  1.0
  Br  Br3  1  0.36  0.08  0.23  1.0

Li Cd Cd Br