data_[Ba2Li4Mn2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/m]
_cell_length_a [8.0220]
_cell_length_b [5.5348]
_cell_length_c [7.8381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLi2MnF8]
_chemical_formula_sum '[Ba2 Li4 Mn2 F16]'
_cell_volume [347.5468]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Li  Li1  4  0.1327  0.5000  0.7972  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0073  0.2283  0.1736  1.0
  F  F4  4  0.1838  0.5000  0.5764  1.0
  F  F5  4  0.2272  0.0000  0.0024  1.0
]