data_Sr2HfSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   145.5
_cell_angle_beta   131.59
_cell_angle_gamma   60.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfSi
_chemical_formula_sum   'Sr2 Hf1 Si1'
_cell_volume   125.93
_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  Sr2  1  0.0  0.75  0.3  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.75  0.77  1.0
  Si  Si1  1  0.0  0.0  0.25  1.0

data_Sr2HfSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.49
_cell_length_c   6.7
_cell_angle_alpha   114.21
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfSi
_chemical_formula_sum   'Sr2 Hf1 Si1'
_cell_volume   125.93
_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  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.25  0.56  0.56  1.0
  Hf  Hf2  1  0.25  0.02  0.02  1.0
  Si  Si3  1  0.0  0.25  0.25  1.0

Sr Sr Hf Si