data_TcP2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   6.28
_cell_angle_alpha   96.35
_cell_angle_beta   96.35
_cell_angle_gamma   45.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcP2Pb
_chemical_formula_sum   'Tc1 P2 Pb1'
_cell_volume   77.27
_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  0.45  0.0  0.93  1.0
  P  P1  1  0.51  0.0  0.31  1.0
  Pb  Pb2  1  0.48  0.0  0.12  1.0

data_TcP2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.18
_cell_length_c   6.28
_cell_angle_alpha   96.35
_cell_angle_beta   90.0
_cell_angle_gamma   112.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcP2Pb
_chemical_formula_sum   'Tc1 P2 Pb1'
_cell_volume   77.27
_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  0.0  0.49  0.69  1.0
  P  P2  1  0.0  0.55  0.07  1.0
  Pb  Pb3  1  0.0  0.52  0.88  1.0

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