data_Y2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   3.81
_cell_angle_alpha   92.08
_cell_angle_beta   92.08
_cell_angle_gamma   97.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GePb
_chemical_formula_sum   'Y2 Ge1 Pb1'
_cell_volume   123.79
_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  Y2  1  0.79  0.15  0.9  1.0
  Y  Y3  1  0.79  0.85  0.9  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.79  0.0  0.0  1.0

data_Y2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   97.25
_cell_angle_beta   92.08
_cell_angle_gamma   92.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GePb
_chemical_formula_sum   'Y2 Ge1 Pb1'
_cell_volume   123.79
_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  0.9  0.79  0.15  1.0
  Y  Y1  1  0.9  0.79  0.85  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  -0.0  0.79  0.0  1.0

Y Y Ge Pb
Y Y Ge Pb 0 3 o o + 1 3 o + + 1 2 + + + 2 3 - o o 