data_[Li6Mn2Fe8O16]
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 [10.3252]
_cell_length_b [6.0393]
_cell_length_c [6.0324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Mn(FeO2)4]
_chemical_formula_sum '[Li6 Mn2 Fe8 O16]'
_cell_volume [305.8240]
_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  0.2500  0.2500  0.0000  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  2  0.0000  0.5000  0.0000  1.0
  Fe  Fe3  4  0.2500  0.2500  0.5000  1.0
  Fe  Fe4  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe5  2  0.0000  0.5000  0.5000  1.0
  O  O6  8  0.0034  0.2502  0.7543  1.0
  O  O7  4  0.2302  0.5000  0.2444  1.0
  O  O8  4  0.2493  0.5000  0.7525  1.0
]