data_CdTcPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   4.63
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   99.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTcPb2
_chemical_formula_sum   'Cd1 Tc1 Pb2'
_cell_volume   95.18
_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  0.5  0.0  0.07  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.28  0.31  0.71  1.0
  Pb  Pb2  1  0.07  0.31  0.43  1.0

data_CdTcPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.63
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   99.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdTcPb2
_chemical_formula_sum   'Cd1 Tc1 Pb2'
_cell_volume   95.18
_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  0.5  0.0  0.07  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.07  0.31  0.43  1.0
  Pb  Pb3  1  0.28  0.31  0.71  1.0

Cd Tc Pb Pb
Cd Tc Pb Pb 0 1 o o o 0 1 + o o 2 3 o o o 