data_LiTcPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.52
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcPb2
_chemical_formula_sum   'Li1 Tc1 Pb2'
_cell_volume   82.8
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.91  0.0  0.39  1.0
  Pb  Pb1  1  0.66  0.76  0.79  1.0
  Pb  Pb2  1  0.62  0.76  0.99  1.0

data_LiTcPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.52
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcPb2
_chemical_formula_sum   'Li1 Tc1 Pb2'
_cell_volume   82.8
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.91  0.0  0.39  1.0
  Pb  Pb2  1  0.62  0.76  0.99  1.0
  Pb  Pb3  1  0.66  0.76  0.79  1.0

Li Tc Pb Pb