data_TcPb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPb2Cl
_chemical_formula_sum   'Tc1 Pb2 Cl1'
_cell_volume   92.9
_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
  Tc  Tc3  1  0.0  0.0  1.0  1.0
  Pb  Pb1  1  0.7  0.7  0.27  1.0
  Pb  Pb2  1  0.7  0.7  0.72  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TcPb2Cl
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.99
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   TcPb2Cl
_chemical_formula_sum   'Tc2 Pb4 Cl2'
_cell_volume   185.79
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Tc  Tc0  2  0.5  0.0  0.0  1.0
  Pb  Pb1  4  0.22  0.0  0.7  1.0
  Cl  Cl2  2  0.5  0.0  0.0  1.0

Tc Pb Pb Cl 0 3 o o + 0 1 - - + 0 2 o - o 0 2 - o o 0 2 - - o 1 3 + + o 2 3 o + + 2 3 + o + 2 3 + + + 2 2 + o o 2 2 o + o 