data_[Li2Mn6O12]
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 [Cm]
_cell_length_a [13.8636]
_cell_length_b [2.9071]
_cell_length_c [5.0124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiMn3O6]
_chemical_formula_sum '[Li2 Mn6 O12]'
_cell_volume [201.9938]
_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  0.2025  0.0000  0.0707  1.0
  Mn  Mn1  2  0.1582  0.5000  0.5487  1.0
  Mn  Mn2  2  0.3463  0.0000  0.4662  1.0
  Mn  Mn3  2  0.4971  0.5000  0.0024  1.0
  O  O4  2  0.0795  0.5000  0.8670  1.0
  O  O5  2  0.0996  0.0000  0.3609  1.0
  O  O6  2  0.2350  0.0000  0.7086  1.0
  O  O7  2  0.2653  0.5000  0.2965  1.0
  O  O8  2  0.4075  0.5000  0.6392  1.0
  O  O9  2  0.4246  0.0000  0.1535  1.0
]