data_[K6Se2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4573]
_cell_length_b [7.5091]
_cell_length_c [13.0201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3SeCl6]
_chemical_formula_sum '[K6 Se2 Cl12]'
_cell_volume [647.5908]
_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  0.2208  0.5750  0.2334  1
  K  K1  2  0.5000  0.0000  0.5000  1
  Se  Se2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.1015  0.7270  0.9409  1
  Cl  Cl4  4  0.1884  0.1739  0.9251  1
  Cl  Cl5  4  0.3609  0.5351  0.7418  1
]