data_[Li8Mn2B4O12]
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 [Pnnm]
_cell_length_a [7.9719]
_cell_length_b [9.3628]
_cell_length_c [3.3699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Li4Mn(BO3)2]
_chemical_formula_sum '[Li8 Mn2 B4 O12]'
_cell_volume [251.5263]
_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  4  0.0073  0.2022  0.5000  1
  Li  Li1  4  0.1710  0.0552  0.0000  1
  Mn  Mn2  2  0.0000  0.5000  0.0000  1
  B  B3  4  0.2313  0.7991  0.0000  1
  O  O4  4  0.0766  0.8630  0.0000  1
  O  O5  4  0.1232  0.3863  0.5000  1
  O  O6  4  0.2488  0.6503  0.0000  1
]