data_[Hf4Mo4H14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8343]
_cell_length_b [6.4283]
_cell_length_c [4.2848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Mo2H7]
_chemical_formula_sum '[Hf4 Mo4 H14]'
_cell_volume [188.1758]
_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  0.0000  0.2397  0.5000  1.0
  Mo  Mo1  4  0.2399  0.5000  0.0149  1.0
  H  H2  8  0.2456  0.2462  0.2401  1.0
  H  H3  4  0.0004  0.5000  0.2336  1.0
  H  H4  2  0.0000  0.0000  0.0000  1.0
]