data_[Li8Fe4B4O16]
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 [C222_1]
_cell_length_a [6.9936]
_cell_length_b [7.2507]
_cell_length_c [6.1725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [Li2FeBO4]
_chemical_formula_sum '[Li8 Fe4 B4 O16]'
_cell_volume [312.9921]
_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
[
  Li  Li0  4  0.0000  0.1952  0.7500  1
  Li  Li1  4  0.1742  0.5000  0.0000  1
  Fe  Fe2  4  0.0000  0.1842  0.2500  1
  B  B3  4  0.1808  0.5000  0.5000  1
  O  O4  8  0.0526  0.3336  0.4921  1
  O  O5  8  0.1996  0.0065  0.2007  1
]