data_[K1Li1Sm2F8]
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/m]
_cell_length_a [5.9491]
_cell_length_b [3.9960]
_cell_length_c [7.7607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KLiSm2F8]
_chemical_formula_sum '[K1 Li1 Sm2 F8]'
_cell_volume [182.9465]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Sm  Sm2  2  0.4584  0.5000  0.2410  1.0
  F  F3  2  0.2060  0.0000  0.2058  1.0
  F  F4  2  0.2690  0.5000  0.9641  1.0
  F  F5  2  0.2839  0.5000  0.4887  1.0
  F  F6  2  0.3541  0.0000  0.7399  1.0
]