data_Zr5ZnPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84
_cell_length_b   8.84
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5ZnPb3
_chemical_formula_sum   'Zr10 Zn2 Pb6'
_cell_volume   402.85
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.42  0.55  0.98  1.0
  Zr  Zr1  1  0.0  0.1  0.0  1.0
  Zr  Zr2  1  0.0  0.1  0.98  1.0
  Zr  Zr3  1  0.42  0.55  0.0  1.0
  Zr  Zr4  1  0.76  0.61  0.47  1.0
  Zr  Zr5  1  0.36  0.0  0.49  1.0
  Zr  Zr6  1  0.24  0.61  0.49  1.0
  Zr  Zr7  1  0.18  0.04  0.47  1.0
  Zr  Zr8  1  0.48  0.0  0.47  1.0
  Zr  Zr9  1  0.82  0.04  0.49  1.0
  Zn  Zn10  1  0.0  0.0  0.98  1.0
  Zn  Zn11  1  0.0  0.0  0.0  1.0
  Pb  Pb12  1  0.3  0.94  0.47  1.0
  Pb  Pb13  1  0.44  0.0  0.49  1.0
  Pb  Pb14  1  0.7  0.94  0.49  1.0
  Pb  Pb15  1  0.72  0.71  0.47  1.0
  Pb  Pb16  1  0.39  0.0  0.47  1.0
  Pb  Pb17  1  0.28  0.71  0.49  1.0

data_Zr5ZnPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.96
_cell_length_b   8.84
_cell_length_c   8.84
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5ZnPb3
_chemical_formula_sum   'Zr10 Zn2 Pb6'
_cell_volume   402.85
_cell_formula_units_Z   2
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
  Zr  Zr0  1  -0.0  0.0  0.1  1.0
  Zr  Zr1  1  -0.0  0.42  0.55  1.0
  Zr  Zr2  1  0.47  0.18  0.04  1.0
  Zr  Zr3  1  0.47  0.48  0.0  1.0
  Zr  Zr4  1  0.47  0.76  0.61  1.0
  Zr  Zr5  1  0.49  0.24  0.61  1.0
  Zr  Zr6  1  0.49  0.36  0.0  1.0
  Zr  Zr7  1  0.49  0.82  0.04  1.0
  Zr  Zr8  1  0.98  0.0  0.1  1.0
  Zr  Zr9  1  0.98  0.42  0.55  1.0
  Zn  Zn10  1  0.0  0.0  0.0  1.0
  Zn  Zn11  1  0.98  0.0  0.0  1.0
  Pb  Pb12  1  0.47  0.3  0.94  1.0
  Pb  Pb13  1  0.47  0.39  0.0  1.0
  Pb  Pb14  1  0.47  0.72  0.71  1.0
  Pb  Pb15  1  0.49  0.28  0.71  1.0
  Pb  Pb16  1  0.49  0.44  0.0  1.0
  Pb  Pb17  1  0.49  0.7  0.94  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zn Zn Pb Pb Pb Pb Pb Pb