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 [Pc]
_cell_length_a [5.2214]
_cell_length_b [3.2397]
_cell_length_c [10.5155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Li2MnF4]
_chemical_formula_sum '[Li4 Mn2 F8]'
_cell_volume [164.5191]
_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  0.3362  0.4605  0.0743  1
  Li  Li1  2  0.6540  0.4609  0.4227  1
  Mn  Mn2  2  0.9934  0.0283  0.7481  1
  F  F3  2  0.2437  0.0398  0.6367  1
  F  F4  2  0.2520  0.4721  0.3763  1
  F  F5  2  0.7360  0.4718  0.1211  1
  F  F6  2  0.7777  0.0390  0.8756  1
]