data_[Hf10Sn4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6222]
_cell_length_b [3.8819]
_cell_length_c [7.7164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5(SnH)2]
_chemical_formula_sum '[Hf10 Sn4 H4]'
_cell_volume [315.3509]
_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  0.1371  0.0000  0.4427  1.0
  Hf  Hf1  4  0.2098  0.5000  0.1459  1.0
  Hf  Hf2  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  4  0.0744  0.5000  0.7311  1.0
  H  H4  4  0.1522  0.0000  0.1836  1.0
]