data_LiCd2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Hg
_chemical_formula_sum   'Li1 Cd2 Hg1'
_cell_volume   83.87
_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  0.09  1.0
  Cd  Cd0  1  0.24  0.0  0.16  1.0
  Cd  Cd1  1  0.0  0.0  0.1  1.0
  Hg  Hg2  1  0.24  0.0  0.84  1.0

data_LiCd2Hg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiCd2Hg
_chemical_formula_sum   'Li1 Cd2 Hg1'
_cell_volume   83.91
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.09  1.0
  Cd  Cd1  1  0.0  0.0  0.1  1.0
  Cd  Cd2  1  0.24  0.0  0.16  1.0
  Hg  Hg3  1  0.24  0.0  0.84  1.0

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