data_[Li2Mn6O8]
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 [6.2998]
_cell_length_b [8.6525]
_cell_length_c [3.1442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiMn3O4]
_chemical_formula_sum '[Li2 Mn6 O8]'
_cell_volume [171.3390]
_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  2  0.0071  0.0000  0.5208  1
  Mn  Mn1  4  0.2511  0.7494  0.0062  1
  Mn  Mn2  2  0.4997  0.0000  0.4842  1
  O  O3  4  0.4998  0.7683  0.5013  1
  O  O4  2  0.2339  0.5000  0.9098  1
  O  O5  2  0.2576  0.0000  0.0702  1
]