data_HfNbIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.33
_cell_angle_alpha   101.46
_cell_angle_beta   101.46
_cell_angle_gamma   32.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbIn2
_chemical_formula_sum   'Hf1 Nb1 In2'
_cell_volume   86.57
_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
  Hf  Hf0  1  0.79  0.0  0.85  1.0
  Nb  Nb3  1  0.83  0.0  0.65  1.0
  In  In1  1  0.59  0.0  0.21  1.0
  In  In2  1  0.76  0.0  0.34  1.0

data_HfNbIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.33
_cell_length_c   5.57
_cell_angle_alpha   101.46
_cell_angle_beta   106.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbIn2
_chemical_formula_sum   'Hf1 Nb1 In2'
_cell_volume   86.57
_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
  Hf  Hf0  1  0.0  0.85  0.79  1.0
  Nb  Nb1  1  0.0  0.65  0.83  1.0
  In  In2  1  0.0  0.21  0.59  1.0
  In  In3  1  0.0  0.34  0.76  1.0

Hf Nb In In
Hf Nb In In 0 1 o o o 2 3 o o o 