data_[Zn4Fe12H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1443]
_cell_length_b [5.1819]
_cell_length_c [4.6292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnFe3H]
_chemical_formula_sum '[Zn4 Fe12 H4]'
_cell_volume [203.6431]
_cell_formula_units_Z [4]
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
[
  Zn  Zn0  2  0.0163  0.5000  0.0149  1.0
  Zn  Zn1  2  0.2680  0.0000  0.5028  1.0
  Fe  Fe2  4  0.0197  0.2588  0.5139  1.0
  Fe  Fe3  4  0.2644  0.2503  0.0137  1.0
  Fe  Fe4  2  0.0108  0.0000  0.0212  1.0
  Fe  Fe5  2  0.2639  0.5000  0.5159  1.0
  H  H6  2  0.1267  0.0000  0.7984  1.0
  H  H7  2  0.3905  0.5000  0.2691  1.0
]