data_TcPPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   7.7
_cell_angle_alpha   103.72
_cell_angle_beta   103.72
_cell_angle_gamma   59.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPPb2
_chemical_formula_sum   'Tc1 P1 Pb2'
_cell_volume   99.21
_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  0.34  0.0  0.76  1.0
  P  P0  1  0.61  0.0  0.81  1.0
  Pb  Pb1  1  0.1  0.0  0.58  1.0
  Pb  Pb2  1  0.03  0.0  0.96  1.0

data_TcPPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.94
_cell_length_c   7.7
_cell_angle_alpha   103.72
_cell_angle_beta   90.0
_cell_angle_gamma   119.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPPb2
_chemical_formula_sum   'Tc1 P1 Pb2'
_cell_volume   99.21
_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  0.66  0.24  1.0
  P  P1  1  0.0  0.39  0.19  1.0
  Pb  Pb2  1  0.0  0.9  0.42  1.0
  Pb  Pb3  1  0.0  0.97  0.04  1.0

Tc P Pb Pb