data_[Li6Mn8O16]
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 [Cm]
_cell_length_a [10.7623]
_cell_length_b [5.7465]
_cell_length_c [5.3143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li3Mn4O8]
_chemical_formula_sum '[Li6 Mn8 O16]'
_cell_volume [302.2832]
_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  0.4996  0.2519  0.4986  1.0
  Li  Li1  2  0.2463  0.0000  0.5133  1.0
  Mn  Mn2  4  0.2505  0.2524  0.0004  1.0
  Mn  Mn3  2  0.0034  0.5000  0.0085  1.0
  Mn  Mn4  2  0.4964  0.5000  0.9885  1.0
  O  O5  4  0.1083  0.2443  0.2247  1.0
  O  O6  4  0.3927  0.2364  0.7709  1.0
  O  O7  2  0.1200  0.5000  0.8029  1.0
  O  O8  2  0.1417  0.0000  0.7705  1.0
  O  O9  2  0.3635  0.5000  0.2133  1.0
  O  O10  2  0.3795  0.0000  0.2096  1.0
]