data_SrHf2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.26
_cell_length_b   9.26
_cell_length_c   9.26
_cell_angle_alpha   150.46
_cell_angle_beta   150.46
_cell_angle_gamma   42.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2
_chemical_formula_sum   'Sr2 Hf4'
_cell_volume   192.46
_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  Sr4  1  0.0  0.0  0.0  1.0
  Sr  Sr5  1  0.0  0.36  0.32  1.0
  Hf  Hf0  1  0.0  0.0  0.15  1.0
  Hf  Hf1  1  0.36  0.0  0.81  1.0
  Hf  Hf2  1  0.0  0.0  0.13  1.0
  Hf  Hf3  1  0.36  0.0  0.83  1.0

data_SrHf2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   9.26
_cell_angle_alpha   104.77
_cell_angle_beta   104.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2
_chemical_formula_sum   'Sr2 Hf4'
_cell_volume   192.46
_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  0.0  1.0
  Sr  Sr1  1  0.04  0.36  0.04  1.0
  Hf  Hf2  1  0.17  0.0  0.53  1.0
  Hf  Hf3  1  0.19  0.0  0.55  1.0
  Hf  Hf4  1  0.85  0.0  0.85  1.0
  Hf  Hf5  1  0.87  0.0  0.87  1.0

Sr Sr Hf Hf Hf Hf