data_[Li4Mn4O8]
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 [3.1738]
_cell_length_b [4.9751]
_cell_length_c [10.1513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMnO2]
_chemical_formula_sum '[Li4 Mn4 O8]'
_cell_volume [158.3209]
_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  4  0.0000  0.3444  0.2500  1.0
  Mn  Mn1  4  0.2500  0.2500  0.0000  1.0
  O  O2  8  0.2369  0.4293  0.6128  1.0
]