data_[Li2Mn8O16]
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 [13.6510]
_cell_length_b [2.9866]
_cell_length_c [9.6831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.7934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiMn4O8]
_chemical_formula_sum '[Li2 Mn8 O16]'
_cell_volume [284.9689]
_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  0.4759  0.0000  1.0
  Mn  Mn1  4  0.1472  0.4960  0.4763  1.0
  Mn  Mn2  4  0.1678  0.9953  0.8185  1.0
  O  O3  4  0.0461  0.4952  0.7248  1.0
  O  O4  4  0.1538  0.9958  0.6093  1.0
  O  O5  4  0.1551  0.9962  0.3468  1.0
  O  O6  4  0.1986  0.9956  0.0532  1.0
]