data_YHf2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2In
_chemical_formula_sum   'Y1 Hf2 In1'
_cell_volume   96.77
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.61  0.37  0.59  1.0
  Hf  Hf1  1  0.61  0.63  0.59  1.0
  In  In2  1  0.22  0.0  0.0  1.0

data_YHf2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   111.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2In
_chemical_formula_sum   'Y1 Hf2 In1'
_cell_volume   96.77
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.59  0.61  0.37  1.0
  Hf  Hf2  1  0.59  0.61  0.63  1.0
  In  In3  1  0.0  0.22  0.0  1.0

Y Hf Hf In
Y Hf Hf In 0 3 o o o 1 2 o o o 