data_SrZr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   4.19
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Pb
_chemical_formula_sum   'Sr1 Zr2 Pb1'
_cell_volume   115.35
_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  0.76  0.1  0.43  1.0
  Zr  Zr3  1  0.76  0.1  0.38  1.0
  Pb  Pb0  1  0.0  0.0  0.9  1.0

data_SrZr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.19
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Pb
_chemical_formula_sum   'Sr1 Zr2 Pb1'
_cell_volume   115.35
_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  Sr0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.76  0.1  0.38  1.0
  Zr  Zr2  1  0.76  0.1  0.43  1.0
  Pb  Pb3  1  0.0  0.0  0.9  1.0

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