data_NaCd2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   3.19
_cell_angle_alpha   103.05
_cell_angle_beta   103.05
_cell_angle_gamma   121.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Hg
_chemical_formula_sum   'Na1 Cd2 Hg1'
_cell_volume   97.92
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.82  0.77  0.42  1.0
  Cd  Cd1  1  0.82  0.23  0.42  1.0
  Hg  Hg2  1  0.12  0.0  0.0  1.0

data_NaCd2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.55
_cell_length_c   6.36
_cell_angle_alpha   114.94
_cell_angle_beta   103.05
_cell_angle_gamma   93.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Hg
_chemical_formula_sum   'Na1 Cd2 Hg1'
_cell_volume   97.92
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.19  0.77  0.59  1.0
  Cd  Cd2  1  0.65  0.23  0.05  1.0
  Hg  Hg3  1  0.0  0.0  0.12  1.0

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