data_[Li6Mn6Fe2O16]
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 [P6_3mc]
_cell_length_a [5.7769]
_cell_length_b [5.7769]
_cell_length_c [9.4502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Li3Mn3FeO8]
_chemical_formula_sum '[Li6 Mn6 Fe2 O16]'
_cell_volume [273.1260]
_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  6  0.1720  0.3440  0.4456  1
  Mn  Mn1  6  0.1683  0.3366  0.7147  1
  Fe  Fe2  2  0.3333  0.6667  0.9948  1
  O  O3  6  0.0310  0.5155  0.8384  1
  O  O4  6  0.1590  0.8410  0.0977  1
  O  O5  2  0.0000  0.0000  0.3243  1
  O  O6  2  0.3333  0.6667  0.5984  1
]