data_TcPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   7.54
_cell_angle_alpha   154.7
_cell_angle_beta   144.26
_cell_angle_gamma   44.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPb3
_chemical_formula_sum   'Tc1 Pb3'
_cell_volume   106.51
_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  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.98  1.0
  Pb  Pb1  1  0.65  0.0  0.49  1.0
  Pb  Pb2  1  0.0  0.31  0.49  1.0

data_TcPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.62
_cell_length_c   7.54
_cell_angle_alpha   107.87
_cell_angle_beta   102.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPb3
_chemical_formula_sum   'Tc1 Pb3'
_cell_volume   106.51
_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  Tc0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.02  0.02  0.02  1.0
  Pb  Pb2  1  0.16  0.51  0.16  1.0
  Pb  Pb3  1  0.51  0.82  0.82  1.0

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