data_[Li2Fe8B8O24]
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 [P2_1]
_cell_length_a [5.2918]
_cell_length_b [9.0643]
_cell_length_c [10.2191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiFe4(BO3)4]
_chemical_formula_sum '[Li2 Fe8 B8 O24]'
_cell_volume [490.1643]
_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  0.3917  0.0194  0.5937  1
  Fe  Fe1  2  0.0926  0.6647  0.8812  1
  Fe  Fe2  2  0.0969  0.3200  0.3733  1
  Fe  Fe3  2  0.4059  0.6662  0.1305  1
  Fe  Fe4  2  0.4083  0.3526  0.6272  1
  B  B5  2  0.0879  0.6546  0.3800  1
  B  B6  2  0.0904  0.3291  0.8757  1
  B  B7  2  0.4161  0.3281  0.1227  1
  B  B8  2  0.4171  0.6852  0.6241  1
  O  O9  2  0.0039  0.9674  0.1171  1
  O  O10  2  0.0230  0.0175  0.6246  1
  O  O11  2  0.0489  0.2693  0.5634  1
  O  O12  2  0.0493  0.7076  0.0790  1
  O  O13  2  0.1825  0.2929  0.1784  1
  O  O14  2  0.1844  0.6947  0.6878  1
  O  O15  2  0.3266  0.3024  0.8225  1
  O  O16  2  0.3299  0.6779  0.3295  1
  O  O17  2  0.4461  0.7117  0.9319  1
  O  O18  2  0.4651  0.3186  0.4105  1
  O  O19  2  0.4752  0.0550  0.4062  1
  O  O20  2  0.4963  0.9680  0.8750  1
]