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/m]
_cell_length_a [10.3586]
_cell_length_b [5.8222]
_cell_length_c [6.0428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiMn4O8]
_chemical_formula_sum '[Li2 Mn8 O16]'
_cell_volume [299.3220]
_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  0.5000  0.5000  1.0
  Mn  Mn1  4  0.2500  0.2500  0.0000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn3  2  0.0000  0.5000  0.0000  1.0
  O  O4  8  0.0227  0.2533  0.8068  1.0
  O  O5  4  0.2296  0.5000  0.1973  1.0
  O  O6  4  0.2422  0.5000  0.7864  1.0
]