data_[Ta10Fe4H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0974]
_cell_length_b [5.1624]
_cell_length_c [6.2370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta5(FeH6)2]
_chemical_formula_sum '[Ta10 Fe4 H24]'
_cell_volume [289.5233]
_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
[
  Ta  Ta0  4  0.1446  0.5000  0.3821  1.0
  Ta  Ta1  4  0.2312  0.5000  0.8260  1.0
  Ta  Ta2  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe3  4  0.0000  0.2369  0.0000  1.0
  H  H4  8  0.1732  0.3162  0.0998  1.0
  H  H5  8  0.1732  0.2227  0.6103  1.0
  H  H6  4  0.0247  0.5000  0.8467  1.0
  H  H7  4  0.0554  0.0000  0.8486  1.0
]