data_YHf2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   4.63
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   94.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2In
_chemical_formula_sum   'Y1 Hf2 In1'
_cell_volume   97.74
_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  0.13  0.0  0.72  1.0
  Hf  Hf0  1  0.13  0.31  0.14  1.0
  Hf  Hf1  1  0.78  0.0  0.47  1.0
  In  In2  1  0.82  0.31  0.21  1.0

data_YHf2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.63
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   94.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2In
_chemical_formula_sum   'Y1 Hf2 In1'
_cell_volume   97.74
_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  0.13  0.0  0.72  1.0
  Hf  Hf1  1  0.13  0.31  0.14  1.0
  Hf  Hf2  1  0.78  0.0  0.47  1.0
  In  In3  1  0.82  0.31  0.21  1.0

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