data_[Li2Mn8B8O24]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1764]
_cell_length_b [7.7721]
_cell_length_c [10.3627]
_cell_angle_alpha [91.1318]
_cell_angle_beta [90.3353]
_cell_angle_gamma [96.2073]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMn4(BO3)4]
_chemical_formula_sum '[Li2 Mn8 B8 O24]'
_cell_volume [494.4214]
_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  0.3683  0.6911  0.7934  1
  Mn  Mn1  2  0.0411  0.3024  0.7903  1
  Mn  Mn2  2  0.0776  0.3258  0.2999  1
  Mn  Mn3  2  0.4383  0.1858  0.9436  1
  Mn  Mn4  2  0.4551  0.1853  0.4685  1
  B  B5  2  0.2456  0.5033  0.0358  1
  B  B6  2  0.2527  0.9947  0.7052  1
  B  B7  2  0.2546  0.4849  0.5556  1
  B  B8  2  0.2819  0.0128  0.2127  1
  O  O9  2  0.1563  0.5233  0.1579  1
  O  O10  2  0.1595  0.8842  0.2737  1
  O  O11  2  0.1621  0.8553  0.7667  1
  O  O12  2  0.1885  0.5043  0.6830  1
  O  O13  2  0.2091  0.3391  0.9746  1
  O  O14  2  0.2117  0.3225  0.4929  1
  O  O15  2  0.2860  0.1589  0.7690  1
  O  O16  2  0.3400  0.6220  0.4856  1
  O  O17  2  0.3409  0.9851  0.5807  1
  O  O18  2  0.3439  0.1743  0.2724  1
  O  O19  2  0.3578  0.6372  0.9726  1
  O  O20  2  0.3644  0.9898  0.0889  1
]