data_YTcPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   151.41
_cell_angle_beta   140.37
_cell_angle_gamma   49.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcPb2
_chemical_formula_sum   'Y1 Tc1 Pb2'
_cell_volume   100.21
_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
  Y  Y3  1  0.0  0.0  0.65  1.0
  Tc  Tc2  1  0.71  0.0  0.25  1.0
  Pb  Pb0  1  0.71  0.0  0.05  1.0
  Pb  Pb1  1  0.0  0.0  0.86  1.0

data_YTcPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.68
_cell_length_c   6.91
_cell_angle_alpha   109.82
_cell_angle_beta   104.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTcPb2
_chemical_formula_sum   'Y1 Tc1 Pb2'
_cell_volume   100.21
_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
  Y  Y0  1  0.35  0.35  0.35  1.0
  Tc  Tc1  1  0.45  0.75  0.45  1.0
  Pb  Pb2  1  0.14  0.14  0.14  1.0
  Pb  Pb3  1  0.65  0.95  0.65  1.0

Y Tc Pb Pb
Y Tc Pb Pb 0 3 o o o 1 2 o o o 