data_[Li9Fe4B8O24]
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 [P1]
_cell_length_a [8.2656]
_cell_length_b [8.3003]
_cell_length_c [8.8806]
_cell_angle_alpha [67.7812]
_cell_angle_beta [68.3352]
_cell_angle_gamma [74.8227]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li9Fe4(BO3)8]
_chemical_formula_sum '[Li9 Fe4 B8 O24]'
_cell_volume [518.8750]
_cell_formula_units_Z [1]
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  1  0.1587  0.4915  0.6053  1
  Li  Li1  1  0.3175  0.9881  0.7222  1
  Li  Li2  1  0.4870  0.3163  0.0875  1
  Li  Li3  1  0.4951  0.6671  0.9218  1
  Li  Li4  1  0.6604  0.9847  0.6136  1
  Li  Li5  1  0.6677  0.0055  0.2673  1
  Li  Li6  1  0.8812  0.4891  0.4929  1
  Li  Li7  1  0.9915  0.1773  0.9210  1
  Li  Li8  1  0.9988  0.8024  0.0844  1
  Fe  Fe9  1  0.0111  0.1642  0.2763  1
  Fe  Fe10  1  0.4914  0.3382  0.7252  1
  Fe  Fe11  1  0.5119  0.6649  0.2782  1
  Fe  Fe12  1  0.9918  0.8391  0.7270  1
  B  B13  1  0.0490  0.2005  0.5777  1
  B  B14  1  0.2155  0.5445  0.9046  1
  B  B15  1  0.2843  0.9462  0.0808  1
  B  B16  1  0.4624  0.2928  0.4356  1
  B  B17  1  0.5523  0.7099  0.5667  1
  B  B18  1  0.7145  0.0459  0.9130  1
  B  B19  1  0.7852  0.4461  0.0907  1
  B  B20  1  0.9506  0.8039  0.4299  1
  O  O21  1  0.0122  0.7245  0.5715  1
  O  O22  1  0.0258  0.3055  0.6709  1
  O  O23  1  0.0744  0.6792  0.9081  1
  O  O24  1  0.1275  0.0251  0.6228  1
  O  O25  1  0.2004  0.9798  0.9638  1
  O  O26  1  0.2316  0.0447  0.1908  1
  O  O27  1  0.2581  0.4562  0.7865  1
  O  O28  1  0.3161  0.5057  0.0071  1
  O  O29  1  0.3873  0.4700  0.4147  1
  O  O30  1  0.4231  0.8082  0.0941  1
  O  O31  1  0.4837  0.1965  0.5994  1
  O  O32  1  0.5116  0.2149  0.3164  1
  O  O33  1  0.5168  0.7991  0.6775  1
  O  O34  1  0.5279  0.7953  0.4058  1
  O  O35  1  0.5762  0.1862  0.9076  1
  O  O36  1  0.6222  0.5299  0.6025  1
  O  O37  1  0.6837  0.4844  0.9873  1
  O  O38  1  0.7393  0.5481  0.1958  1
  O  O39  1  0.7606  0.9592  0.7915  1
  O  O40  1  0.8023  0.0033  0.0286  1
  O  O41  1  0.8637  0.9788  0.4001  1
  O  O42  1  0.9239  0.3111  0.0920  1
  O  O43  1  0.9642  0.7100  0.3308  1
  O  O44  1  0.9896  0.2713  0.4347  1
]