data_[Hf6In2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0068]
_cell_length_b [5.9673]
_cell_length_c [6.2345]
_cell_angle_alpha [102.1147]
_cell_angle_beta [90.0236]
_cell_angle_gamma [91.1403]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf3InH]
_chemical_formula_sum '[Hf6 In2 H2]'
_cell_volume [182.0807]
_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  2  0.2228  0.1510  0.4199  1.0
  Hf  Hf1  2  0.2378  0.1419  0.9261  1.0
  Hf  Hf2  2  0.2395  0.6333  0.2562  1.0
  In  In3  2  0.2660  0.6365  0.7671  1.0
  H  H4  2  0.4960  0.1082  0.6613  1.0
]