data_[Li16Fe8B8O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [8.8668]
_cell_length_b [4.7685]
_cell_length_c [14.2809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [Li2FeBO4]
_chemical_formula_sum '[Li16 Fe8 B8 O32]'
_cell_volume [603.8167]
_cell_formula_units_Z [8]
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  4  0.0033  0.9743  0.0445  1
  Li  Li1  4  0.0037  0.4755  0.4347  1
  Li  Li2  4  0.2235  0.4746  0.3280  1
  Li  Li3  4  0.2308  0.9570  0.2295  1
  Fe  Fe4  4  0.0173  0.5188  0.6986  1
  Fe  Fe5  4  0.2321  0.4876  0.0570  1
  B  B6  4  0.0126  0.0247  0.8151  1
  B  B7  4  0.2349  0.9884  0.4222  1
  O  O8  4  0.0011  0.8796  0.2146  1
  O  O9  4  0.0093  0.2827  0.3132  1
  O  O10  4  0.0222  0.3686  0.0711  1
  O  O11  4  0.1084  0.8331  0.3740  1
  O  O12  4  0.1660  0.1173  0.8477  1
  O  O13  4  0.1698  0.2142  0.4827  1
  O  O14  4  0.1772  0.7915  0.9796  1
  O  O15  4  0.2384  0.5523  0.6891  1
]