data_LaCd2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCd2Hg
_chemical_formula_sum   'La1 Cd2 Hg1'
_cell_volume   104.41
_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
  La  La3  1  0.0  0.0  0.73  1.0
  Cd  Cd0  1  0.84  0.84  0.24  1.0
  Cd  Cd1  1  0.0  0.0  0.89  1.0
  Hg  Hg2  1  0.84  0.84  0.66  1.0

data_LaCd2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCd2Hg
_chemical_formula_sum   'La2 Cd4 Hg2'
_cell_volume   208.82
_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
  La  La0  2  0.0  0.0  0.73  1.0
  Cd  Cd1  2  0.0  0.0  0.89  1.0
  Cd  Cd2  2  0.34  0.5  0.24  1.0
  Hg  Hg3  2  0.34  0.5  0.66  1.0

La Cd Cd Hg
La Cd Cd Hg 0 3 - - o 0 2 o o o 1 1 + o o 1 1 o + o 1 2 + + - 1 3 o o o 