data_Y2ZnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   142.62
_cell_angle_beta   134.78
_cell_angle_gamma   60.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZnPb
_chemical_formula_sum   'Y2 Zn1 Pb1'
_cell_volume   103.68
_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  Y1  1  0.0  0.0  0.8  1.0
  Y  Y2  1  1.0  0.0  0.85  1.0
  Zn  Zn3  1  0.0  0.0  0.57  1.0
  Pb  Pb0  1  0.0  0.4  0.4  1.0

data_Y2ZnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.8
_cell_length_c   6.24
_cell_angle_alpha   112.61
_cell_angle_beta   108.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZnPb
_chemical_formula_sum   'Y2 Zn1 Pb1'
_cell_volume   103.68
_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  0.0  0.8  0.8  1.0
  Y  Y1  1  0.0  0.85  0.85  1.0
  Zn  Zn2  1  0.0  0.57  0.57  1.0
  Pb  Pb3  1  0.6  1.0  1.0  1.0

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