data_HfIn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   130.54
_cell_angle_beta   130.54
_cell_angle_gamma   72.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Re
_chemical_formula_sum   'Hf1 In2 Re1'
_cell_volume   78.31
_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  0.0  0.17  1.0
  In  In1  1  0.0  0.17  0.09  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.17  0.0  0.09  1.0

data_HfIn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.18
_cell_angle_alpha   114.73
_cell_angle_beta   114.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Re
_chemical_formula_sum   'Hf1 In2 Re1'
_cell_volume   78.31
_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  0.83  0.0  0.83  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.08  0.17  0.08  1.0
  Re  Re3  1  0.91  0.0  0.08  1.0

Hf In In Re
Hf In In Re 0 2 o o o 1 2 o o o 2 3 o o o 