data_Sr2LaZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   4.35
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaZr
_chemical_formula_sum   'Sr2 La1 Zr1'
_cell_volume   158.64
_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  0.16  1.0
  Sr  Sr2  1  0.92  0.18  0.84  1.0
  La  La0  1  0.92  0.18  0.53  1.0
  Zr  Zr3  1  0.0  0.0  0.15  1.0

data_Sr2LaZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.35
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaZr
_chemical_formula_sum   'Sr2 La1 Zr1'
_cell_volume   158.64
_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  0.16  1.0
  Sr  Sr1  1  0.92  0.18  0.84  1.0
  La  La2  1  0.92  0.18  0.53  1.0
  Zr  Zr3  1  0.0  0.0  0.15  1.0

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