data_CdSnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   131.7
_cell_angle_beta   131.7
_cell_angle_gamma   70.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSnHg2
_chemical_formula_sum   'Cd1 Sn1 Hg2'
_cell_volume   100.6
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.64  1.0
  Hg  Hg1  1  0.33  0.0  0.32  1.0
  Hg  Hg2  1  0.0  0.33  0.32  1.0

data_CdSnHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   125.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSnHg2
_chemical_formula_sum   'Cd2 Sn2 Hg4'
_cell_volume   201.21
_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
  Cd  Cd0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.64  1.0
  Hg  Hg2  4  0.34  0.34  0.99  1.0

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