data_[Y8Fe56B4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.8473]
_cell_length_b [8.8473]
_cell_length_c [12.1352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Y2Fe14BH4]
_chemical_formula_sum '[Y8 Fe56 B4 H16]'
_cell_volume [949.8685]
_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
[
  Y  Y0  4  0.1553  0.8447  0.0000  1
  Y  Y1  4  0.2342  0.7658  0.5000  1
  Fe  Fe2  16  0.0390  0.3653  0.1762  1
  Fe  Fe3  16  0.0613  0.2751  0.3763  1
  Fe  Fe4  8  0.1038  0.1038  0.2138  1
  Fe  Fe5  8  0.1848  0.8152  0.2569  1
  Fe  Fe6  4  0.0000  0.0000  0.3887  1
  Fe  Fe7  4  0.0000  0.5000  0.0000  1
  B  B8  4  0.1247  0.1247  0.5000  1
  H  H9  16  0.0323  0.8034  0.1509  1
]