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 [P2_1/m]
_cell_length_a [5.3438]
_cell_length_b [5.8887]
_cell_length_c [5.9338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3InH]
_chemical_formula_sum '[Hf6 In2 H2]'
_cell_volume [181.8223]
_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  4  0.4456  0.0006  0.2431  1
  Hf  Hf1  2  0.0313  0.2500  0.6313  1
  In  In2  2  0.0760  0.7500  0.8700  1
  H  H3  2  0.3855  0.7500  0.4803  1
]