data_[K6La4Ti2Se12]
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
  Ti  1.5400  1.4000  0.8517
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3900]
_cell_length_b [12.7985]
_cell_length_c [8.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3La2TiSe6]
_chemical_formula_sum '[K6 La4 Ti2 Se12]'
_cell_volume [725.3918]
_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  0.1697  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  La  La2  4  0.0000  0.3325  0.0000  1
  Ti  Ti3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2215  0.1524  0.2043  1
  Se  Se5  4  0.2336  0.0000  0.7995  1
]