data_[Li3Mn15O9F15]
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 [R3m]
_cell_length_a [6.4464]
_cell_length_b [6.4464]
_cell_length_c [15.6600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiMn5O3F5]
_chemical_formula_sum '[Li3 Mn15 O9 F15]'
_cell_volume [563.5894]
_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  0.2457  1.0
  Mn  Mn1  9  0.1703  0.3407  0.4511  1.0
  Mn  Mn2  3  0.0000  0.0000  0.0161  1.0
  Mn  Mn3  3  0.0000  0.0000  0.6324  1.0
  O  O4  9  0.0241  0.5121  0.3809  1.0
  F  F5  9  0.1799  0.3598  0.2032  1.0
  F  F6  3  0.0000  0.0000  0.3759  1.0
  F  F7  3  0.0000  0.0000  0.8743  1.0
]