data_[Li6Mn2Fe2O12]
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]
_cell_length_a [4.8576]
_cell_length_b [8.5741]
_cell_length_c [4.9569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li3MnFeO6]
_chemical_formula_sum '[Li6 Mn2 Fe2 O12]'
_cell_volume [196.0736]
_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  0.3411  0.5000  1
  Li  Li1  2  0.0000  0.5012  0.0000  1
  Li  Li2  2  0.0000  0.6556  0.5000  1
  Mn  Mn3  2  0.0000  0.8366  0.0000  1
  Fe  Fe4  2  0.0000  0.1641  0.0000  1
  O  O5  4  0.2230  0.0035  0.2192  1
  O  O6  4  0.2430  0.3159  0.2243  1
  O  O7  4  0.2492  0.1829  0.7780  1
]