data_[Li2Y2B8H32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-42c]
_cell_length_a [6.1273]
_cell_length_b [6.1273]
_cell_length_c [12.2127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [112]
_chemical_formula_structural [LiY(BH4)4]
_chemical_formula_sum '[Li2 Y2 B8 H32]'
_cell_volume [458.5131]
_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
[
  Li  Li0  2  0.0000  0.0000  0.2500  1
  Y  Y1  2  0.5000  0.5000  0.2500  1
  B  B2  8  0.2528  0.2573  0.3554  1
  H  H3  8  0.1293  0.1418  0.4059  1
  H  H4  8  0.1813  0.4453  0.3471  1
  H  H5  8  0.1897  0.2841  0.7605  1
  H  H6  8  0.2651  0.4360  0.8983  1
]