data_[K1Ba1La2Te4]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1459]
_cell_length_b [4.7067]
_cell_length_c [8.4951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KBa(LaTe2)2]
_chemical_formula_sum '[K1 Ba1 La2 Te4]'
_cell_volume [308.6913]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Ba  Ba1  1  0.0000  0.5000  0.5000  1.0
  La  La2  1  0.0000  0.0000  0.0000  1.0
  La  La3  1  0.5000  0.5000  0.0000  1.0
  Te  Te4  2  0.2406  0.5000  0.2236  1.0
  Te  Te5  2  0.2579  0.0000  0.7728  1.0
]