data_[Li3Mn21O27F9]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.6977]
_cell_length_b [8.6977]
_cell_length_c [10.2427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiMn7(O3F)3]
_chemical_formula_sum '[Li3 Mn21 O27 F9]'
_cell_volume [671.0458]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4683  1.0
  Mn  Mn1  9  0.0383  0.2834  0.2045  1.0
  Mn  Mn2  9  0.1138  0.7080  0.4639  1.0
  Mn  Mn3  3  0.0000  0.0000  0.0156  1.0
  O  O4  9  0.0269  0.1832  0.8841  1.0
  O  O5  9  0.0329  0.2378  0.3921  1.0
  O  O6  9  0.1549  0.6698  0.7942  1.0
  F  F7  9  0.0005  0.8157  0.5999  1.0
]