data_[K6Sm2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.4013]
_cell_length_b [6.6217]
_cell_length_c [6.5599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [K3SmF6]
_chemical_formula_sum '[K6 Sm2 F12]'
_cell_volume [405.9340]
_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  0.2488  0.4722  0.7191  1.0
  K  K1  2  0.0000  0.4972  0.0000  1.0
  Sm  Sm2  2  0.0000  0.9995  0.5000  1.0
  F  F3  4  0.0749  0.2208  0.3355  1.0
  F  F4  4  0.0757  0.7538  0.3627  1.0
  F  F5  4  0.2196  0.0546  0.8538  1.0
]