data_[Ba2Li4Sm2F16]
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
  Sm  1.1700  1.8500  1.2290
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.4357]
_cell_length_b [5.4357]
_cell_length_c [12.0709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [BaLi2SmF8]
_chemical_formula_sum '[Ba2 Li4 Sm2 F16]'
_cell_volume [356.6577]
_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  0.5000  0.7500  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Li  Li2  2  0.0000  0.5000  0.2500  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  F  F4  8  0.1136  0.7703  0.1616  1.0
  F  F5  8  0.1617  0.2781  0.5637  1.0
]