data_[Li4Mn2O6]
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 [P-1]
_cell_length_a [2.8954]
_cell_length_b [5.0685]
_cell_length_c [7.6731]
_cell_angle_alpha [72.0761]
_cell_angle_beta [79.3845]
_cell_angle_gamma [89.7534]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2MnO3]
_chemical_formula_sum '[Li4 Mn2 O6]'
_cell_volume [105.1419]
_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  0.3372  0.5125  0.8235  1.0
  Li  Li1  1  0.0000  0.5000  0.5000  1.0
  Li  Li2  1  0.5000  0.0000  0.5000  1.0
  Mn  Mn3  2  0.1659  0.0066  0.1755  1.0
  O  O4  2  0.0950  0.2394  0.3170  1.0
  O  O5  2  0.2568  0.7863  0.9881  1.0
  O  O6  2  0.4002  0.2224  0.6875  1.0
]