data_[Li6Mn12O24]
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 [R3m]
_cell_length_a [5.8950]
_cell_length_b [5.8950]
_cell_length_c [14.5965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiMn2O4]
_chemical_formula_sum '[Li6 Mn12 O24]'
_cell_volume [439.2876]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.5007  1.0
  Li  Li1  3  0.0000  0.0000  0.8834  1.0
  Mn  Mn2  9  0.1689  0.3379  0.3321  1.0
  Mn  Mn3  3  0.0000  0.0000  0.1186  1.0
  O  O4  9  0.0284  0.5142  0.2628  1.0
  O  O5  9  0.1834  0.3668  0.0714  1.0
  O  O6  3  0.0000  0.0000  0.2611  1.0
  O  O7  3  0.0000  0.0000  0.7373  1.0
]