data_Tc2OsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   145.65
_cell_angle_beta   128.75
_cell_angle_gamma   63.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2OsPb
_chemical_formula_sum   'Tc2 Os1 Pb1'
_cell_volume   65.89
_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  0.0  0.0  0.07  1.0
  Tc  Tc3  1  0.57  0.0  0.27  1.0
  Os  Os0  1  0.0  0.0  0.56  1.0
  Pb  Pb1  1  0.0  0.3  0.27  1.0

data_Tc2OsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.61
_cell_length_c   5.33
_cell_angle_alpha   115.62
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2OsPb
_chemical_formula_sum   'Tc2 Os1 Pb1'
_cell_volume   65.89
_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  0.31  0.73  0.31  1.0
  Tc  Tc1  1  0.93  0.93  0.93  1.0
  Os  Os2  1  0.44  0.44  0.44  1.0
  Pb  Pb3  1  0.73  0.03  0.03  1.0

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