data_[Li2Mn2F8]
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 [P2/c]
_cell_length_a [4.6185]
_cell_length_b [5.5499]
_cell_length_c [5.3415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LiMnF4]
_chemical_formula_sum '[Li2 Mn2 F8]'
_cell_volume [136.5090]
_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  0.5000  0.3531  0.7500  1.0
  Mn  Mn1  2  0.0000  0.1557  0.2500  1.0
  F  F2  4  0.2291  0.0978  0.9084  1.0
  F  F3  4  0.2551  0.3823  0.4017  1.0
]