data_[K6La4Sn2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5925]
_cell_length_b [13.1495]
_cell_length_c [8.1065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3La2SnSe6]
_chemical_formula_sum '[K6 La4 Sn2 Se12]'
_cell_volume [768.9345]
_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  0.0000  0.1659  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  La  La2  4  0.0000  0.3333  0.0000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2319  0.1618  0.2098  1.0
  Se  Se5  4  0.2460  0.5000  0.2090  1.0
]