data_TcP2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   3.61
_cell_angle_alpha   100.43
_cell_angle_beta   100.43
_cell_angle_gamma   107.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcP2Pb
_chemical_formula_sum   'Tc1 P2 Pb1'
_cell_volume   72.37
_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
  P  P0  1  0.84  0.89  0.72  1.0
  P  P1  1  0.84  0.11  0.72  1.0
  Pb  Pb2  1  0.78  0.0  0.0  1.0

data_TcP2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   107.42
_cell_angle_beta   100.43
_cell_angle_gamma   100.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcP2Pb
_chemical_formula_sum   'Tc1 P2 Pb1'
_cell_volume   72.37
_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
  P  P1  1  0.72  0.84  0.11  1.0
  P  P2  1  0.72  0.84  0.89  1.0
  Pb  Pb3  1  0.0  0.78  0.0  1.0

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