data_[Li12Mn2Fe4O12]
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
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7823]
_cell_length_b [3.2465]
_cell_length_c [7.6880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6Mn(FeO3)2]
_chemical_formula_sum '[Li12 Mn2 Fe4 O12]'
_cell_volume [281.5231]
_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  4  0.0097  0.0000  0.1537  1
  Li  Li1  4  0.1555  0.5000  0.1763  1
  Li  Li2  4  0.1791  0.5000  0.4889  1
  Mn  Mn3  2  0.0000  0.0000  0.5000  1
  Fe  Fe4  4  0.1684  0.5000  0.8332  1
  O  O5  4  0.0222  0.5000  0.3007  1
  O  O6  4  0.1437  0.0000  0.0298  1
  O  O7  4  0.1921  0.0000  0.6380  1
]