data_[K6Sm3V9F36]
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
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7114]
_cell_length_b [7.7114]
_cell_length_c [17.4656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2SmV3F12]
_chemical_formula_sum '[K6 Sm3 V9 F36]'
_cell_volume [899.4617]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3768  1
  Sm  Sm1  3  0.0000  0.0000  0.0000  1
  V  V2  9  0.0000  0.5000  0.5000  1
  F  F3  18  0.0088  0.5044  0.6181  1
  F  F4  18  0.0741  0.5370  0.8243  1
]