data_Sr12Pb17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.15
_cell_length_b   11.15
_cell_length_c   11.15
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr12Pb17
_chemical_formula_sum   'Sr12 Pb17'
_cell_volume   1068.31
_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
  Sr  Sr17  1  0.29  0.04  0.71  1.0
  Sr  Sr18  1  0.71  0.04  0.29  1.0
  Sr  Sr19  1  0.15  0.4  0.15  1.0
  Sr  Sr20  1  0.29  0.84  0.29  1.0
  Sr  Sr21  1  0.04  0.29  0.71  1.0
  Sr  Sr22  1  0.04  0.71  0.29  1.0
  Sr  Sr23  1  0.84  0.29  0.29  1.0
  Sr  Sr24  1  0.4  0.15  0.15  1.0
  Sr  Sr25  1  0.29  0.29  0.84  1.0
  Sr  Sr26  1  0.15  0.15  0.4  1.0
  Sr  Sr27  1  0.29  0.71  0.04  1.0
  Sr  Sr28  1  0.71  0.29  0.04  1.0
  Pb  Pb0  1  0.22  0.34  0.78  1.0
  Pb  Pb1  1  0.78  0.34  0.22  1.0
  Pb  Pb2  1  0.78  0.54  0.78  1.0
  Pb  Pb3  1  0.66  0.1  0.66  1.0
  Pb  Pb4  1  0.34  0.22  0.78  1.0
  Pb  Pb5  1  0.34  0.78  0.22  1.0
  Pb  Pb6  1  0.1  0.66  0.66  1.0
  Pb  Pb7  1  0.54  0.78  0.78  1.0
  Pb  Pb8  1  0.66  0.66  0.1  1.0
  Pb  Pb9  1  0.78  0.78  0.54  1.0
  Pb  Pb10  1  0.22  0.78  0.34  1.0
  Pb  Pb11  1  0.78  0.22  0.34  1.0
  Pb  Pb12  1  0.08  0.08  0.92  1.0
  Pb  Pb13  1  0.92  0.08  0.08  1.0
  Pb  Pb14  1  0.36  0.36  0.36  1.0
  Pb  Pb15  1  0.08  0.92  0.08  1.0
  Pb  Pb16  1  0.0  0.0  0.0  1.0

data_Sr12Pb17
_symmetry_space_group_name_H-M   R3m
_cell_length_a   18.21
_cell_length_b   18.21
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr12Pb17
_chemical_formula_sum   'Sr36 Pb51'
_cell_volume   3204.93
_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
  Sr  Sr0  18  0.03  0.3  0.01  1.0
  Sr  Sr1  9  0.03  0.52  0.81  1.0
  Sr  Sr2  9  0.16  0.08  0.23  1.0
  Pb  Pb3  18  0.11  0.34  0.11  1.0
  Pb  Pb4  9  0.05  0.11  0.03  1.0
  Pb  Pb5  9  0.08  0.16  0.7  1.0
  Pb  Pb6  9  0.19  0.37  0.48  1.0
  Pb  Pb7  3  0.0  0.0  0.0  1.0
  Pb  Pb8  3  0.0  0.0  0.36  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb