data_HfIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   6.05
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn3
_chemical_formula_sum   'Hf2 In6'
_cell_volume   183.92
_cell_formula_units_Z   2
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
  Hf  Hf0  1  0.66  0.0  0.08  1.0
  Hf  Hf1  1  0.0  0.02  0.65  1.0
  In  In2  1  0.0  0.0  0.63  1.0
  In  In3  1  0.66  0.02  0.09  1.0
  In  In4  1  0.66  0.49  0.91  1.0
  In  In5  1  0.66  0.56  0.91  1.0
  In  In6  1  0.0  0.51  0.81  1.0
  In  In7  1  0.0  0.54  0.81  1.0

data_HfIn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.31
_cell_length_b   5.72
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn3
_chemical_formula_sum   'Hf2 In6'
_cell_volume   183.92
_cell_formula_units_Z   2
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
  Hf  Hf0  1  0.0  0.35  0.98  1.0
  Hf  Hf1  1  0.34  0.92  0.0  1.0
  In  In2  1  0.0  0.19  0.46  1.0
  In  In3  1  0.0  0.19  0.49  1.0
  In  In4  1  0.0  0.37  0.0  1.0
  In  In5  1  0.34  0.09  0.44  1.0
  In  In6  1  0.34  0.09  0.51  1.0
  In  In7  1  0.34  0.91  0.98  1.0

Hf Hf In In In In In In