data_[K6La4Y2Se12]
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
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5651]
_cell_length_b [13.1046]
_cell_length_c [8.0909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3La2YSe6]
_chemical_formula_sum '[K6 La4 Y2 Se12]'
_cell_volume [762.0402]
_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  0.1677  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  La  La2  4  0.0000  0.3335  0.0000  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2311  0.1613  0.2095  1
  Se  Se5  4  0.2475  0.5000  0.2093  1
]