data_SrZr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.45
_cell_length_b   11.45
_cell_length_c   11.45
_cell_angle_alpha   16.99
_cell_angle_beta   16.99
_cell_angle_gamma   16.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Pb
_chemical_formula_sum   'Sr1 Zr2 Pb1'
_cell_volume   111.78
_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  Sr1  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.0  0.0  0.66  1.0
  Zr  Zr3  1  0.0  0.0  0.18  1.0
  Pb  Pb0  1  0.0  0.0  0.92  1.0

data_SrZr2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.86
_cell_length_b   3.38
_cell_length_c   11.45
_cell_angle_alpha   90.0
_cell_angle_beta   99.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZr2Pb
_chemical_formula_sum   'Sr2 Zr4 Pb2'
_cell_volume   223.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Sr0  2  0.0  0.0  0.0  1.0
  Zr  Zr1  2  0.0  0.0  0.34  1.0
  Zr  Zr2  2  0.0  0.0  0.82  1.0
  Pb  Pb3  2  0.0  0.0  0.08  1.0

Sr Zr Zr Pb
Sr Zr Zr Pb 0 3 o o - 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 