data_[Li6Mn4P4O16F6]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0391]
_cell_length_b [9.2227]
_cell_length_c [6.7793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.5112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li3Mn2P2O8F3]
_chemical_formula_sum '[Li6 Mn4 P4 O16 F6]'
_cell_volume [436.0187]
_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  0.4727  0.2709  0.9896  1.0
  Li  Li1  2  0.2205  0.0000  0.9342  1.0
  Mn  Mn2  2  0.2048  0.0000  0.3989  1.0
  Mn  Mn3  2  0.3079  0.5000  0.6167  1.0
  P  P4  4  0.0106  0.2519  0.5014  1.0
  O  O5  4  0.0189  0.1618  0.3149  1.0
  O  O6  4  0.1982  0.3392  0.6903  1.0
  O  O7  4  0.3310  0.1494  0.3288  1.0
  O  O8  4  0.4993  0.3456  0.6776  1.0
  F  F9  2  0.0078  0.0000  0.9835  1.0
  F  F10  2  0.1277  0.5000  0.2713  1.0
  F  F11  2  0.3381  0.0000  0.7790  1.0
]