data_[K12Se2I6Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5028]
_cell_length_b [14.6870]
_cell_length_c [8.1947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K6SeI3Cl2]
_chemical_formula_sum '[K12 Se2 I6 Cl4]'
_cell_volume [960.7805]
_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  8  0.2479  0.1736  0.2227  1
  K  K1  4  0.2253  0.5000  0.2182  1
  Se  Se2  2  0.0000  0.0000  0.0000  1
  I  I3  4  0.0000  0.1604  0.5000  1
  I  I4  2  0.0000  0.5000  0.5000  1
  Cl  Cl5  4  0.0000  0.3326  0.0000  1
]