data_ZnCd2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   4.51
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   101.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Hg
_chemical_formula_sum   'Zn1 Cd2 Hg1'
_cell_volume   88.13
_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
  Zn  Zn3  1  0.59  0.0  0.26  1.0
  Cd  Cd0  1  0.15  0.25  0.36  1.0
  Cd  Cd1  1  0.59  0.0  0.49  1.0
  Hg  Hg2  1  0.91  0.25  0.74  1.0

data_ZnCd2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.51
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   101.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Hg
_chemical_formula_sum   'Zn1 Cd2 Hg1'
_cell_volume   88.13
_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
  Zn  Zn0  1  0.59  0.0  0.26  1.0
  Cd  Cd1  1  0.15  0.25  0.36  1.0
  Cd  Cd2  1  0.59  0.0  0.49  1.0
  Hg  Hg3  1  0.91  0.25  0.74  1.0

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