data_Zr5Pb24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.39
_cell_length_b   10.39
_cell_length_c   10.39
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Pb24
_chemical_formula_sum   'Zr5 Pb24'
_cell_volume   864.53
_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
  Zr  Zr24  1  0.05  0.95  0.05  1.0
  Zr  Zr25  1  0.95  0.05  0.05  1.0
  Zr  Zr26  1  0.05  0.05  0.95  1.0
  Zr  Zr27  1  0.96  0.96  0.96  1.0
  Zr  Zr28  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.07  0.93  0.31  1.0
  Pb  Pb1  1  0.93  0.07  0.31  1.0
  Pb  Pb2  1  0.07  0.07  0.7  1.0
  Pb  Pb3  1  0.93  0.93  0.69  1.0
  Pb  Pb4  1  0.07  0.7  0.07  1.0
  Pb  Pb5  1  0.93  0.69  0.93  1.0
  Pb  Pb6  1  0.93  0.31  0.07  1.0
  Pb  Pb7  1  0.07  0.31  0.93  1.0
  Pb  Pb8  1  0.31  0.93  0.07  1.0
  Pb  Pb9  1  0.31  0.07  0.93  1.0
  Pb  Pb10  1  0.69  0.93  0.93  1.0
  Pb  Pb11  1  0.7  0.07  0.07  1.0
  Pb  Pb12  1  0.33  0.67  0.72  1.0
  Pb  Pb13  1  0.67  0.33  0.72  1.0
  Pb  Pb14  1  0.34  0.34  0.28  1.0
  Pb  Pb15  1  0.67  0.67  0.28  1.0
  Pb  Pb16  1  0.34  0.28  0.34  1.0
  Pb  Pb17  1  0.67  0.28  0.67  1.0
  Pb  Pb18  1  0.67  0.72  0.33  1.0
  Pb  Pb19  1  0.33  0.72  0.67  1.0
  Pb  Pb20  1  0.72  0.67  0.33  1.0
  Pb  Pb21  1  0.72  0.33  0.67  1.0
  Pb  Pb22  1  0.28  0.67  0.67  1.0
  Pb  Pb23  1  0.28  0.34  0.34  1.0

data_Zr5Pb24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   16.97
_cell_length_b   16.97
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zr5Pb24
_chemical_formula_sum   'Zr15 Pb72'
_cell_volume   2593.6
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.03  0.06  0.02  1.0
  Zr  Zr1  3  0.0  0.0  -0.0  1.0
  Zr  Zr2  3  0.0  0.0  0.96  1.0
  Pb  Pb3  18  0.09  0.24  0.57  1.0
  Pb  Pb4  18  0.16  0.46  0.77  1.0
  Pb  Pb5  9  0.02  0.04  0.32  1.0
  Pb  Pb6  9  0.08  0.54  0.2  1.0
  Pb  Pb7  9  0.08  0.16  0.85  1.0
  Pb  Pb8  9  0.08  0.54  0.61  1.0

Zr Zr Zr Zr Zr Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb