data_[Li8Mn8O16]
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/m]
_cell_length_a [10.3765]
_cell_length_b [5.9191]
_cell_length_c [5.9153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiMnO2]
_chemical_formula_sum '[Li8 Mn8 O16]'
_cell_volume [298.5154]
_cell_formula_units_Z [8]
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  0.2500  0.2500  0.5000  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn3  4  0.2500  0.2500  0.0000  1.0
  Mn  Mn4  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn5  2  0.0000  0.5000  0.5000  1.0
  O  O6  8  0.0136  0.2439  0.7701  1.0
  O  O7  4  0.2344  0.5000  0.7203  1.0
  O  O8  4  0.2500  0.0000  0.7851  1.0
]