data_[Li6Mn2O4F4]
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 [P2/c]
_cell_length_a [5.0583]
_cell_length_b [5.9870]
_cell_length_c [5.0558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Li3Mn(OF)2]
_chemical_formula_sum '[Li6 Mn2 O4 F4]'
_cell_volume [146.4677]
_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  2  0.0000  0.1114  0.7500  1.0
  Li  Li1  2  0.0000  0.3600  0.2500  1.0
  Li  Li2  2  0.5000  0.3669  0.7500  1.0
  Mn  Mn3  2  0.5000  0.1120  0.2500  1.0
  O  O4  4  0.2653  0.1199  0.4847  1.0
  F  F5  4  0.2515  0.3814  0.0048  1.0
]