data_TcPt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.56
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   91.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPt2Pb
_chemical_formula_sum   'Tc1 Pt2 Pb1'
_cell_volume   70.88
_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  0.09  0.0  0.3  1.0
  Pt  Pt1  1  0.41  0.0  0.33  1.0
  Pt  Pt2  1  0.52  0.28  0.58  1.0
  Pb  Pb0  1  0.92  0.28  0.16  1.0

data_TcPt2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.56
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   91.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPt2Pb
_chemical_formula_sum   'Tc1 Pt2 Pb1'
_cell_volume   70.88
_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  0.09  0.0  0.3  1.0
  Pt  Pt1  1  0.41  0.0  0.33  1.0
  Pt  Pt2  1  0.52  0.28  0.58  1.0
  Pb  Pb3  1  0.92  0.28  0.16  1.0

Tc Pt Pt Pb
Tc Pt Pt Pb 0 1 o o o 0 3 - o o 1 2 o o o 