data_SrHf2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   5.17
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2In
_chemical_formula_sum   'Sr1 Hf2 In1'
_cell_volume   106.32
_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  0.0  1.0
  Hf  Hf0  1  0.0  0.59  0.82  1.0
  Hf  Hf1  1  0.82  0.0  0.82  1.0
  In  In2  1  0.82  0.59  0.0  1.0

data_SrHf2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.17
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2In
_chemical_formula_sum   'Sr1 Hf2 In1'
_cell_volume   106.32
_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  0.59  0.82  1.0
  Hf  Hf2  1  0.82  0.0  0.82  1.0
  In  In3  1  0.82  0.59  0.0  1.0

Sr Hf Hf In
Sr Hf Hf In 0 2 - o - 1 3 - o + 