data_[Na1Li1Mn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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-3]
_cell_length_a [5.2975]
_cell_length_b [5.2975]
_cell_length_c [6.1168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [NaLiMn2F8]
_chemical_formula_sum '[Na1 Li1 Mn2 F8]'
_cell_volume [148.6601]
_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
[
  Na  Na0  1  0.0000  0.0000  0.0000  1
  Li  Li1  1  0.0000  0.0000  0.5000  1
  Mn  Mn2  2  0.3333  0.6667  0.6179  1
  F  F3  6  0.0522  0.7001  0.3473  1
  F  F4  2  0.3333  0.6667  0.9118  1
]