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 [P-1]
_cell_length_a [5.0761]
_cell_length_b [5.3278]
_cell_length_c [6.3304]
_cell_angle_alpha [65.4964]
_cell_angle_beta [72.8068]
_cell_angle_gamma [89.8507]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMnF4]
_chemical_formula_sum '[Li2 Mn2 F8]'
_cell_volume [147.3979]
_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  0.2573  0.8630  0.9938  1.0
  Mn  Mn1  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  1  0.5000  0.5000  0.5000  1.0
  F  F3  2  0.0016  0.9775  0.8027  1.0
  F  F4  2  0.1469  0.5753  0.6391  1.0
  F  F5  2  0.3567  0.2124  0.3574  1.0
  F  F6  2  0.4963  0.7735  0.1985  1.0
]