data_Sr2LaZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53
_cell_length_b   7.53
_cell_length_c   7.53
_cell_angle_alpha   150.52
_cell_angle_beta   132.99
_cell_angle_gamma   56.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaZr
_chemical_formula_sum   'Sr2 La1 Zr1'
_cell_volume   152.6
_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  0.92  0.0  0.92  1.0
  Sr  Sr2  1  0.0  0.0  0.71  1.0
  La  La0  1  0.0  0.0  0.63  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0

data_Sr2LaZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   6.0
_cell_length_c   7.53
_cell_angle_alpha   113.5
_cell_angle_beta   104.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaZr
_chemical_formula_sum   'Sr2 La1 Zr1'
_cell_volume   152.6
_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  0.29  0.29  0.29  1.0
  Sr  Sr1  1  1.0  0.08  1.0  1.0
  La  La2  1  0.37  0.37  0.37  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0

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