data_[Li6Mn21F48]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.5177]
_cell_length_b [6.5177]
_cell_length_c [26.4541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li2Mn7F16]
_chemical_formula_sum '[Li6 Mn21 F48]'
_cell_volume [973.2276]
_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  6  0.0000  0.0000  0.3340  1
  Mn  Mn1  18  0.0012  0.3677  0.8881  1
  Mn  Mn2  3  0.0000  -0.0000  0.0000  1
  F  F3  18  0.0214  0.3855  0.6309  1
  F  F4  18  0.0224  0.2908  0.1368  1
  F  F5  6  0.0000  0.0000  0.2374  1
  F  F6  6  0.0000  0.0000  0.4164  1
]