data_[Li2Mn3F8]
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 [5.3926]
_cell_length_b [5.8511]
_cell_length_c [6.0275]
_cell_angle_alpha [71.6526]
_cell_angle_beta [89.8092]
_cell_angle_gamma [63.5911]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2Mn3F8]
_chemical_formula_sum '[Li2 Mn3 F8]'
_cell_volume [159.5742]
_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  2  0.4450  0.0909  0.2548  1.0
  Mn  Mn1  2  0.2402  0.5295  0.6507  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0511  0.2314  0.1851  1.0
  F  F4  2  0.0610  0.2525  0.6778  1.0
  F  F5  2  0.4516  0.7717  0.0494  1.0
  F  F6  2  0.4814  0.7425  0.5354  1.0
]