data_[K2Rb4Sm2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6742]
_cell_length_b [9.2429]
_cell_length_c [15.0261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KRb2SmI6]
_chemical_formula_sum '[K2 Rb4 Sm2 I12]'
_cell_volume [996.2088]
_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
[
  Rb  Rb0  4  0.2878  0.5831  0.7547  1.0
  K  K1  2  0.5000  0.0000  0.0000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1085  0.5421  0.2337  1.0
  I  I4  4  0.2376  0.2180  0.0671  1.0
  I  I5  4  0.3451  0.6814  0.0562  1.0
]