data_Na2TcPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   149.13
_cell_angle_beta   136.18
_cell_angle_gamma   54.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcPb
_chemical_formula_sum   'Na2 Tc1 Pb1'
_cell_volume   85.58
_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
  Na  Na0  1  0.66  0.0  0.65  1.0
  Na  Na1  1  0.0  0.33  0.89  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.54  1.0

data_Na2TcPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.65
_cell_length_c   6.24
_cell_angle_alpha   111.91
_cell_angle_beta   105.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcPb
_chemical_formula_sum   'Na2 Tc1 Pb1'
_cell_volume   85.58
_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
  Na  Na0  1  0.0  0.65  0.99  1.0
  Na  Na1  1  0.67  0.56  0.56  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.54  0.54  1.0

Na Na Tc Pb
Na Na Tc Pb 0 2 + o + 1 3 o o o 