data_HfZr2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   132.84
_cell_angle_beta   132.84
_cell_angle_gamma   68.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2In
_chemical_formula_sum   'Hf1 Zr2 In1'
_cell_volume   103.79
_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  0.33  0.0  0.4  1.0
  Zr  Zr2  1  0.0  0.33  0.4  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.79  1.0

data_HfZr2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   5.81
_cell_angle_alpha   113.58
_cell_angle_beta   113.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2In
_chemical_formula_sum   'Hf1 Zr2 In1'
_cell_volume   103.79
_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  0.6  0.0  0.93  1.0
  Zr  Zr1  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.93  0.33  0.93  1.0
  In  In3  1  0.21  0.0  0.21  1.0

Hf Zr Zr In