data_[Li10Mn6O16]
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 [10.3052]
_cell_length_b [5.7397]
_cell_length_c [5.1864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5Mn3O8]
_chemical_formula_sum '[Li10 Mn6 O16]'
_cell_volume [284.3288]
_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  0.2466  0.5000  0.4897  1.0
  Li  Li1  4  0.2500  0.2500  0.0000  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn3  4  0.0000  0.2526  0.5000  1.0
  Mn  Mn4  2  0.0000  0.0000  0.0000  1.0
  O  O5  8  0.1066  0.2411  0.2607  1.0
  O  O6  4  0.1171  0.5000  0.7197  1.0
  O  O7  4  0.1197  0.0000  0.7265  1.0
]