data_Sr2Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.34
_cell_length_b   14.34
_cell_length_c   14.34
_cell_angle_alpha   164.2
_cell_angle_beta   164.2
_cell_angle_gamma   22.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Zr
_chemical_formula_sum   'Sr4 Zr2'
_cell_volume   218.76
_cell_formula_units_Z   2
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  0.97  0.0  0.07  1.0
  Sr  Sr1  1  0.0  0.0  0.03  1.0
  Sr  Sr2  1  0.97  0.0  1.0  1.0
  Sr  Sr3  1  0.0  0.0  0.11  1.0
  Zr  Zr4  1  0.0  0.97  0.03  1.0
  Zr  Zr5  1  0.0  0.0  0.0  1.0

data_Sr2Zr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   14.34
_cell_angle_alpha   97.9
_cell_angle_beta   97.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Zr
_chemical_formula_sum   'Sr4 Zr2'
_cell_volume   218.76
_cell_formula_units_Z   2
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  0.98  1.0
  Sr  Sr1  1  0.89  0.0  0.89  1.0
  Sr  Sr2  1  0.93  0.0  0.9  1.0
  Sr  Sr3  1  0.97  0.0  0.97  1.0
  Zr  Zr4  1  0.0  0.0  0.0  1.0
  Zr  Zr5  1  0.94  0.97  0.94  1.0

Sr Sr Sr Sr Zr Zr