data_[Li16Mn4O12]
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/c]
_cell_length_a [10.6271]
_cell_length_b [4.7174]
_cell_length_c [6.8779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li4MnO3]
_chemical_formula_sum '[Li16 Mn4 O12]'
_cell_volume [325.3105]
_cell_formula_units_Z [4]
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  8  0.1478  0.2995  0.5001  1.0
  Li  Li1  8  0.1782  0.2195  0.1234  1.0
  Mn  Mn2  4  0.0000  0.2326  0.7500  1.0
  O  O3  8  0.1795  0.0138  0.8560  1.0
  O  O4  4  0.0000  0.5000  0.0000  1.0
]