data_Cd2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   144.95
_cell_angle_beta   129.55
_cell_angle_gamma   62.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SnHg
_chemical_formula_sum   'Cd2 Sn1 Hg1'
_cell_volume   100.7
_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  0.84  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.61  1.0
  Sn  Sn3  1  0.0  0.0  0.84  1.0
  Hg  Hg2  1  0.84  0.0  0.22  1.0

data_Cd2SnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.22
_cell_length_c   6.13
_cell_angle_alpha   115.23
_cell_angle_beta   107.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SnHg
_chemical_formula_sum   'Cd2 Sn1 Hg1'
_cell_volume   100.7
_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  0.16  1.0
  Cd  Cd1  1  0.0  0.61  0.61  1.0
  Sn  Sn2  1  0.0  0.84  0.84  1.0
  Hg  Hg3  1  0.0  0.22  0.38  1.0

Cd Cd Sn Hg