data_SrHfSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   138.5
_cell_angle_beta   138.5
_cell_angle_gamma   60.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfSi2
_chemical_formula_sum   'Sr1 Hf1 Si2'
_cell_volume   86.58
_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  Sr3  1  0.0  0.0  0.05  1.0
  Hf  Hf0  1  0.0  0.07  0.53  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.07  0.0  0.53  1.0

data_SrHfSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.84
_cell_angle_alpha   110.75
_cell_angle_beta   110.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfSi2
_chemical_formula_sum   'Sr1 Hf1 Si2'
_cell_volume   86.58
_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  0.95  0.0  0.95  1.0
  Hf  Hf1  1  0.54  0.07  0.54  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.47  0.0  0.54  1.0

Sr Hf Si Si