data_[Li8Mn4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.1764]
_cell_length_b [8.5258]
_cell_length_c [5.0006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2MnO3]
_chemical_formula_sum '[Li8 Mn4 O12]'
_cell_volume [203.9444]
_cell_formula_units_Z [4]
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  0.0000  0.2537  0.7500  1.0
  Li  Li1  4  0.0000  0.4139  0.2500  1.0
  Mn  Mn2  4  0.0000  0.0869  0.2500  1.0
  O  O3  8  0.2177  0.0728  0.0116  1.0
  O  O4  4  0.2500  0.2500  0.5000  1.0
]