data_CdTc2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.96
_cell_angle_alpha   99.65
_cell_angle_beta   99.65
_cell_angle_gamma   33.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2Hg
_chemical_formula_sum   'Cd1 Tc2 Hg1'
_cell_volume   69.45
_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
  Tc  Tc2  1  0.78  0.0  0.71  1.0
  Tc  Tc3  1  0.14  0.0  0.17  1.0
  Hg  Hg1  1  0.46  0.0  0.44  1.0

data_CdTc2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.96
_cell_length_c   5.11
_cell_angle_alpha   99.65
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTc2Hg
_chemical_formula_sum   'Cd1 Tc2 Hg1'
_cell_volume   69.45
_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
  Tc  Tc1  1  0.0  0.17  0.14  1.0
  Tc  Tc2  1  0.0  0.71  0.78  1.0
  Hg  Hg3  1  0.0  0.44  0.46  1.0

Cd Tc Tc Hg