data_[Li4Mn2F8]
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 [Pmc2_1]
_cell_length_a [3.2862]
_cell_length_b [8.7686]
_cell_length_c [8.7529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Li2MnF4]
_chemical_formula_sum '[Li4 Mn2 F8]'
_cell_volume [252.2185]
_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  0.0187  0.7542  1.0
  Li  Li1  2  0.0000  0.4956  0.2311  1.0
  Mn  Mn2  2  0.5000  0.2493  0.9998  1.0
  F  F3  2  0.0000  0.1345  0.1113  1.0
  F  F4  2  0.0000  0.3613  0.8842  1.0
  F  F5  2  0.5000  0.0801  0.8245  1.0
  F  F6  2  0.5000  0.4245  0.1690  1.0
]