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/c]
_cell_length_a [8.2481]
_cell_length_b [8.0191]
_cell_length_c [6.1174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMnO2]
_chemical_formula_sum '[Li8 Mn8 O16]'
_cell_volume [317.8548]
_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  0.0000  0.4470  0.7500  1.0
  Li  Li1  4  0.2500  0.2500  0.0000  1.0
  Mn  Mn2  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn3  4  0.2500  0.2500  0.5000  1.0
  O  O4  8  0.0195  0.2468  0.5178  1.0
  O  O5  8  0.2220  0.0093  0.4728  1.0
]