data_Tc2MoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.16
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   98.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2MoPb
_chemical_formula_sum   'Tc2 Mo1 Pb1'
_cell_volume   70.31
_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  0.15  0.08  0.5  1.0
  Tc  Tc3  1  0.97  0.08  0.2  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.58  0.0  0.85  1.0

data_Tc2MoPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.16
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   98.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2MoPb
_chemical_formula_sum   'Tc2 Mo1 Pb1'
_cell_volume   70.31
_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  0.15  0.08  0.5  1.0
  Tc  Tc1  1  0.97  0.08  0.2  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.58  0.0  0.85  1.0

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