data_[K6Na4Sr2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.7607]
_cell_length_b [4.9287]
_cell_length_c [9.9665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Na2SrI6]
_chemical_formula_sum '[K6 Na4 Sr2 I12]'
_cell_volume [1035.6129]
_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  0.1683  0.0000  0.8271  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Na  Na2  4  0.1719  0.0000  0.3439  1.0
  Sr  Sr3  2  0.0000  0.5000  0.0000  1.0
  I  I4  4  0.0049  0.0000  0.2354  1.0
  I  I5  4  0.1598  0.5000  0.0933  1.0
  I  I6  4  0.1709  0.5000  0.5675  1.0
]