data_Sr2HfZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   146.52
_cell_angle_beta   133.58
_cell_angle_gamma   58.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfZr
_chemical_formula_sum   'Sr2 Hf1 Zr1'
_cell_volume   126.93
_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  0.97  0.0  0.99  1.0
  Sr  Sr2  1  0.0  0.7  0.98  1.0
  Hf  Hf0  1  0.0  0.0  0.97  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0

data_Sr2HfZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.39
_cell_length_c   6.84
_cell_angle_alpha   113.21
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfZr
_chemical_formula_sum   'Sr2 Hf1 Zr1'
_cell_volume   126.93
_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  0.02  0.72  0.72  1.0
  Sr  Sr1  1  0.98  0.01  0.98  1.0
  Hf  Hf2  1  0.03  0.03  0.03  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0

Sr Sr Hf Zr