data_TcPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   6.46
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPb3
_chemical_formula_sum   'Tc2 Pb6'
_cell_volume   202.9
_cell_formula_units_Z   2
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  Tc6  1  0.0  0.0  0.12  1.0
  Tc  Tc7  1  0.6  0.23  0.92  1.0
  Pb  Pb0  1  0.6  0.0  0.32  1.0
  Pb  Pb1  1  0.0  0.23  0.72  1.0
  Pb  Pb2  1  0.0  0.62  0.99  1.0
  Pb  Pb3  1  0.0  0.84  0.99  1.0
  Pb  Pb4  1  0.6  0.85  0.04  1.0
  Pb  Pb5  1  0.6  0.61  0.04  1.0

data_TcPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   6.03
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPb3
_chemical_formula_sum   'Tc2 Pb6'
_cell_volume   202.9
_cell_formula_units_Z   2
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  Tc0  1  0.0  0.88  0.0  1.0
  Tc  Tc1  1  0.4  0.08  0.77  1.0
  Pb  Pb2  1  0.0  0.01  0.16  1.0
  Pb  Pb3  1  0.0  0.01  0.38  1.0
  Pb  Pb4  1  0.0  0.28  0.77  1.0
  Pb  Pb5  1  0.4  0.68  0.0  1.0
  Pb  Pb6  1  0.4  0.96  0.15  1.0
  Pb  Pb7  1  0.4  0.96  0.39  1.0

Tc Tc Pb Pb Pb Pb Pb Pb
Tc Tc Pb Pb Pb Pb Pb Pb 0 5 o - - 0 1 - o - 0 3 o o - 1 2 o o + 1 6 o - + 1 3 + o o 1 7 o o + 2 6 o - o 3 5 o - o 3 4 o o o 4 5 o o o 6 7 o o o 