data_[Li2Mn14O24]
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]
_cell_length_a [5.2197]
_cell_length_b [8.9374]
_cell_length_c [9.9832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiMn7O12]
_chemical_formula_sum '[Li2 Mn14 O24]'
_cell_volume [455.2838]
_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  0.0000  0.9238  0.0000  1.0
  Mn  Mn1  4  0.2416  0.7597  0.2354  1.0
  Mn  Mn2  2  0.0000  0.0784  0.5000  1.0
  Mn  Mn3  2  0.0000  0.2537  0.0000  1.0
  Mn  Mn4  2  0.0000  0.4142  0.5000  1.0
  Mn  Mn5  2  0.0000  0.5774  0.0000  1.0
  Mn  Mn6  2  0.0000  0.7450  0.5000  1.0
  O  O7  4  0.0786  0.2592  0.3821  1.0
  O  O8  4  0.0940  0.7341  0.8829  1.0
  O  O9  4  0.1200  0.4111  0.8989  1.0
  O  O10  4  0.1375  0.5844  0.4039  1.0
  O  O11  4  0.1404  0.8985  0.3942  1.0
  O  O12  4  0.1477  0.1069  0.8893  1.0
]