data_SrHf4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   8.57
_cell_angle_alpha   113.48
_cell_angle_beta   113.48
_cell_angle_gamma   33.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf4
_chemical_formula_sum   'Sr1 Hf4'
_cell_volume   132.05
_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  Sr4  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.97  0.0  0.25  1.0
  Hf  Hf1  1  0.13  0.0  0.74  1.0
  Hf  Hf2  1  0.91  0.0  0.06  1.0
  Hf  Hf3  1  0.07  0.0  0.55  1.0

data_SrHf4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.54
_cell_length_c   8.14
_cell_angle_alpha   74.89
_cell_angle_beta   78.7
_cell_angle_gamma   73.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf4
_chemical_formula_sum   'Sr1 Hf4'
_cell_volume   132.05
_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  0.0  1.0
  Hf  Hf1  1  0.0  0.4  0.74  1.0
  Hf  Hf2  1  0.0  0.52  0.55  1.0
  Hf  Hf3  1  0.0  0.72  0.25  1.0
  Hf  Hf4  1  0.0  0.85  0.06  1.0

Sr Hf Hf Hf Hf
Sr Hf Hf Hf Hf 0 3 - o o 1 3 o o o 2 4 o o o 