data_[K4Ba2La2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.5881]
_cell_length_b [6.6828]
_cell_length_c [14.6005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [K2BaLa]
_chemical_formula_sum '[K4 Ba2 La2]'
_cell_volume [447.6750]
_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  2  0.0000  0.0000  0.0070  1
  K  K1  2  0.0000  0.5000  0.7312  1
  Ba  Ba2  2  0.0000  0.5000  0.2726  1
  La  La3  2  0.0000  0.0000  0.4892  1
]