data_[K4Rb2Sm2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  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 [6.5612]
_cell_length_b [6.8493]
_cell_length_c [11.3397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2RbSmF6]
_chemical_formula_sum '[K4 Rb2 Sm2 F12]'
_cell_volume [422.6543]
_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  0.2799  0.5442  0.7707  1.0
  Rb  Rb1  2  0.5000  0.0000  0.0000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0925  0.5914  0.2165  1.0
  F  F4  4  0.2513  0.2363  0.0945  1.0
  F  F5  4  0.3300  0.6607  0.0375  1.0
]