data_Y12Ni6Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48
_cell_length_b   8.48
_cell_length_c   8.48
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y12Ni6Pb
_chemical_formula_sum   'Y12 Ni6 Pb1'
_cell_volume   470.15
_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  0.93  0.9  0.05  1.0
  Y  Y1  1  0.85  0.83  0.0  1.0
  Y  Y2  1  0.83  0.0  0.85  1.0
  Y  Y3  1  0.85  0.97  0.0  1.0
  Y  Y4  1  0.05  0.93  0.9  1.0
  Y  Y5  1  0.0  0.85  0.97  1.0
  Y  Y6  1  0.07  0.9  0.05  1.0
  Y  Y7  1  0.0  0.85  0.83  1.0
  Y  Y8  1  0.9  0.05  0.07  1.0
  Y  Y9  1  0.05  0.07  0.9  1.0
  Y  Y10  1  0.9  0.05  0.93  1.0
  Y  Y11  1  0.97  0.0  0.85  1.0
  Ni  Ni12  1  0.0  0.9  0.2  1.0
  Ni  Ni13  1  0.2  0.0  0.9  1.0
  Ni  Ni14  1  0.7  0.9  0.0  1.0
  Ni  Ni15  1  0.9  0.0  0.7  1.0
  Ni  Ni16  1  0.9  0.2  0.0  1.0
  Ni  Ni17  1  0.0  0.7  0.9  1.0
  Pb  Pb18  1  0.0  0.0  0.0  1.0

data_Y12Ni6Pb
_symmetry_space_group_name_H-M   R3
_cell_length_a   13.85
_cell_length_b   13.85
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Y12Ni6Pb
_chemical_formula_sum   'Y36 Ni18 Pb3'
_cell_volume   1410.45
_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  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+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
  Y  Y0  9  0.03  0.09  0.94  1.0
  Y  Y1  9  0.04  0.11  0.0  1.0
  Y  Y2  9  0.09  0.06  0.96  1.0
  Y  Y3  9  0.11  0.07  0.89  1.0
  Ni  Ni4  9  0.03  0.16  0.87  1.0
  Ni  Ni5  9  0.16  0.13  0.03  1.0
  Pb  Pb6  3  0.0  0.0  0.0  1.0

Y Y Y Y Y Y Y Y Y Y Y Y Ni Ni Ni Ni Ni Ni Pb