data_[Li1Mn2F8]
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 [P-1]
_cell_length_a [4.7785]
_cell_length_b [5.5402]
_cell_length_c [5.7223]
_cell_angle_alpha [67.0031]
_cell_angle_beta [85.0670]
_cell_angle_gamma [87.9316]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMn2F8]
_chemical_formula_sum '[Li1 Mn2 F8]'
_cell_volume [138.9365]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  Mn  Mn1  1  0.5000  0.0000  0.0000  1
  Mn  Mn2  1  0.5000  0.5000  0.5000  1
  F  F3  2  0.2167  0.6181  0.6605  1
  F  F4  2  0.2273  0.1614  0.1266  1
  F  F5  2  0.2991  0.6848  0.1384  1
  F  F6  2  0.3447  0.1349  0.6831  1
]