data_Cd2TcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   133.33
_cell_angle_beta   133.33
_cell_angle_gamma   68.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TcHg
_chemical_formula_sum   'Cd2 Tc1 Hg1'
_cell_volume   77.9
_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  0.1  0.0  0.2  1.0
  Cd  Cd1  1  0.0  0.0  0.4  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.1  0.2  1.0

data_Cd2TcHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.31
_cell_angle_alpha   113.33
_cell_angle_beta   113.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TcHg
_chemical_formula_sum   'Cd2 Tc1 Hg1'
_cell_volume   77.9
_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  0.6  0.0  0.6  1.0
  Cd  Cd1  1  0.8  0.0  0.9  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.9  0.1  0.9  1.0

Cd Cd Tc Hg