data_[Li6Mn2Fe4B6O18]
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 [Pm]
_cell_length_a [8.2604]
_cell_length_b [6.2843]
_cell_length_c [8.2608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li3MnFe2(BO3)3]
_chemical_formula_sum '[Li6 Mn2 Fe4 B6 O18]'
_cell_volume [371.5810]
_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  0.0151  0.2505  0.7137  1
  Li  Li1  2  0.2852  0.2501  0.3015  1
  Li  Li2  2  0.6988  0.2512  0.9838  1
  Mn  Mn3  1  0.3715  0.0000  0.0120  1
  Mn  Mn4  1  0.9880  0.0000  0.3599  1
  Fe  Fe5  1  0.3674  0.5000  0.0069  1
  Fe  Fe6  1  0.6398  0.5000  0.6325  1
  Fe  Fe7  1  0.6412  0.0000  0.6339  1
  Fe  Fe8  1  0.9938  0.5000  0.3606  1
  B  B9  2  0.3348  0.2535  0.6671  1
  B  B10  2  0.6659  0.2535  0.3341  1
  B  B11  1  0.9991  0.0000  0.9970  1
  B  B12  1  0.9998  0.5000  0.0003  1
  O  O13  2  0.1415  0.2535  0.5602  1
  O  O14  2  0.4209  0.2541  0.8600  1
  O  O15  2  0.4419  0.2502  0.5803  1
  O  O16  2  0.4731  0.2534  0.2204  1
  O  O17  2  0.7451  0.2510  0.5273  1
  O  O18  2  0.7795  0.2541  0.2543  1
  O  O19  1  0.0788  0.0000  0.8837  1
  O  O20  1  0.0865  0.5000  0.8931  1
  O  O21  1  0.1074  0.5000  0.1943  1
  O  O22  1  0.1112  0.0000  0.1901  1
  O  O23  1  0.8052  0.0000  0.9160  1
  O  O24  1  0.8066  0.5000  0.9143  1
]