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 [C2]
_cell_length_a [6.2858]
_cell_length_b [8.6517]
_cell_length_c [3.1660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiMn3O4]
_chemical_formula_sum '[Li2 Mn6 O8]'
_cell_volume [172.1254]
_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  0.0000  0.5034  0.0000  1.0
  Mn  Mn1  4  0.2493  0.2516  0.5018  1.0
  Mn  Mn2  2  0.0000  0.9975  0.0000  1.0
  O  O3  4  0.2373  0.0003  0.4247  1.0
  O  O4  2  0.0000  0.2291  0.0000  1.0
  O  O5  2  0.0000  0.7661  0.0000  1.0
]