data_[Li8Mn2Fe4B8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  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 [Pc]
_cell_length_a [5.2637]
_cell_length_b [8.6653]
_cell_length_c [10.9717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Li4MnFe2(BO3)4]
_chemical_formula_sum '[Li8 Mn2 Fe4 B8 O24]'
_cell_volume [444.9088]
_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  0.4325  0.1331  0.1013  1
  Li  Li1  2  0.4570  0.3066  0.3389  1
  Li  Li2  2  0.5618  0.3901  0.8772  1
  Li  Li3  2  0.9261  0.2073  0.0831  1
  Mn  Mn4  2  0.4965  0.1952  0.6250  1
  Fe  Fe5  2  0.0100  0.4606  0.6298  1
  Fe  Fe6  2  0.9730  0.0352  0.3769  1
  B  B7  2  0.0494  0.3913  0.3812  1
  B  B8  2  0.4612  0.4308  0.1217  1
  B  B9  2  0.5269  0.0401  0.8742  1
  B  B10  2  0.9676  0.0897  0.6362  1
  O  O11  2  0.1560  0.0361  0.5891  1
  O  O12  2  0.1562  0.2395  0.3979  1
  O  O13  2  0.1791  0.4939  0.3292  1
  O  O14  2  0.2693  0.3254  0.1252  1
  O  O15  2  0.3066  0.0764  0.9015  1
  O  O16  2  0.4151  0.4189  0.6567  1
  O  O17  2  0.6088  0.1052  0.3536  1
  O  O18  2  0.6814  0.3934  0.0915  1
  O  O19  2  0.7150  0.1549  0.8735  1
  O  O20  2  0.8117  0.0201  0.1694  1
  O  O21  2  0.8467  0.4368  0.4214  1
  O  O22  2  0.9050  0.2428  0.6411  1
]