data_[Li6Mn8O16]
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 [10.0194]
_cell_length_b [5.7387]
_cell_length_c [6.8054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.0242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Mn4O8]
_chemical_formula_sum '[Li6 Mn8 O16]'
_cell_volume [295.2131]
_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  0.0000  0.2683  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.0000  1
  Mn  Mn2  4  0.2085  0.0000  0.9683  1
  Mn  Mn3  4  0.2500  0.2500  0.5000  1
  O  O4  8  0.2370  0.2589  0.1785  1
  O  O5  4  0.0716  0.0000  0.3508  1
  O  O6  4  0.0775  0.5000  0.3552  1
]