data_CdTcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.49
_cell_length_c   2.87
_cell_angle_alpha   82.68
_cell_angle_beta   75.51
_cell_angle_gamma   21.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTcHg
_chemical_formula_sum   'Cd1 Tc1 Hg1'
_cell_volume   56.86
_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  0.66  0.35  0.5  1.0
  Tc  Tc2  1  0.66  0.35  0.89  1.0
  Hg  Hg1  1  0.66  0.35  0.83  1.0

data_CdTcHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.31
_cell_length_b   14.61
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   125.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdTcHg
_chemical_formula_sum   'Cd2 Tc2 Hg2'
_cell_volume   113.72
_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  0.35  0.0  0.84  1.0
  Tc  Tc1  2  0.35  0.0  0.45  1.0
  Hg  Hg2  2  0.35  0.0  0.52  1.0

Cd Tc Hg