data_[Li2Sm2Al2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [4.9267]
_cell_length_b [4.9267]
_cell_length_c [11.0681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [182]
_chemical_formula_structural [LiSmAlF6]
_chemical_formula_sum '[Li2 Sm2 Al2 F12]'
_cell_volume [232.6549]
_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  0.3333  0.6667  0.2500  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Al  Al2  2  0.3333  0.6667  0.7500  1
  F  F3  12  0.0286  0.3594  0.8445  1
]