data_Tc2TePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   4.91
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2TePb
_chemical_formula_sum   'Tc2 Te1 Pb1'
_cell_volume   78.71
_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  Tc1  1  0.61  0.45  0.74  1.0
  Tc  Tc2  1  0.0  0.0  0.84  1.0
  Te  Te3  1  0.0  0.45  0.66  1.0
  Pb  Pb0  1  0.61  0.0  0.21  1.0

data_Tc2TePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.91
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2TePb
_chemical_formula_sum   'Tc2 Te1 Pb1'
_cell_volume   78.71
_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  0.0  0.84  1.0
  Tc  Tc1  1  0.61  0.45  0.74  1.0
  Te  Te2  1  0.0  0.45  0.66  1.0
  Pb  Pb3  1  0.61  0.0  0.21  1.0

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