data_Tc2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   7.16
_cell_angle_alpha   155.36
_cell_angle_beta   153.39
_cell_angle_gamma   36.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PPb
_chemical_formula_sum   'Tc2 P1 Pb1'
_cell_volume   68.54
_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  Tc2  1  0.0  0.0  0.37  1.0
  Tc  Tc3  1  0.53  0.0  0.26  1.0
  P  P0  1  0.0  0.0  0.44  1.0
  Pb  Pb1  1  0.0  0.65  0.13  1.0

data_Tc2PPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.3
_cell_length_c   7.16
_cell_angle_alpha   103.31
_cell_angle_beta   102.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PPb
_chemical_formula_sum   'Tc2 P1 Pb1'
_cell_volume   68.54
_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  0.26  0.73  1.0
  Tc  Tc1  1  0.0  0.37  0.37  1.0
  P  P2  1  0.0  0.44  0.44  1.0
  Pb  Pb3  1  0.35  0.48  0.48  1.0

Tc Tc P Pb