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 [P-1]
_cell_length_a [5.9563]
_cell_length_b [5.9662]
_cell_length_c [8.4536]
_cell_angle_alpha [90.1318]
_cell_angle_beta [90.0559]
_cell_angle_gamma [90.3317]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMnO2]
_chemical_formula_sum '[Li8 Mn8 O16]'
_cell_volume [300.4054]
_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  2  0.2511  0.2532  0.7493  1
  Li  Li1  2  0.2513  0.2540  0.2507  1
  Li  Li2  2  0.2579  0.7584  0.2467  1
  Li  Li3  1  0.0000  0.5000  0.5000  1
  Li  Li4  1  0.5000  0.0000  0.0000  1
  Mn  Mn5  2  0.2505  0.7500  0.7505  1
  Mn  Mn6  1  0.0000  0.0000  0.0000  1
  Mn  Mn7  1  0.0000  0.0000  0.5000  1
  Mn  Mn8  1  0.0000  0.5000  0.0000  1
  Mn  Mn9  1  0.5000  0.0000  0.5000  1
  Mn  Mn10  1  0.5000  0.5000  0.0000  1
  Mn  Mn11  1  0.5000  0.5000  0.5000  1
  O  O12  2  0.0139  0.9858  0.7395  1
  O  O13  2  0.0178  0.5188  0.7643  1
  O  O14  2  0.2457  0.2748  1.0000  1
  O  O15  2  0.2520  0.7800  0.4860  1
  O  O16  2  0.2702  0.7538  0.0080  1
  O  O17  2  0.2808  0.2458  0.5004  1
  O  O18  2  0.4832  0.9836  0.7280  1
  O  O19  2  0.4848  0.5149  0.7345  1
]