data_[K4Li2Sm2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/c]
_cell_length_a [6.0996]
_cell_length_b [6.1230]
_cell_length_c [10.5350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2LiSmF6]
_chemical_formula_sum '[K4 Li2 Sm2 F12]'
_cell_volume [322.0844]
_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
[
  K  K0  4  0.2432  0.5263  0.7489  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Sm  Sm2  2  0.5000  0.0000  0.0000  1
  F  F3  4  0.1799  0.7232  0.4690  1
  F  F4  4  0.2452  0.2117  0.4685  1
  F  F5  4  0.3028  0.5143  0.2429  1
]