data_TcBPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   140.04
_cell_angle_beta   120.45
_cell_angle_gamma   74.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBPb2
_chemical_formula_sum   'Tc1 B1 Pb2'
_cell_volume   75.24
_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  0.13  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.57  0.35  1.0
  Pb  Pb2  1  0.77  0.0  0.79  1.0

data_TcBPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.14
_cell_length_c   5.18
_cell_angle_alpha   119.77
_cell_angle_beta   109.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBPb2
_chemical_formula_sum   'Tc1 B1 Pb2'
_cell_volume   75.24
_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  0.13  0.13  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.79  0.02  1.0
  Pb  Pb3  1  0.43  0.77  0.77  1.0

Tc B Pb Pb