data_[K6La2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [21.0672]
_cell_length_b [4.3345]
_cell_length_c [17.6235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [K3LaTe3]
_chemical_formula_sum '[K6 La2 Te6]'
_cell_volume [1609.3206]
_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  0.3560  0.0000  0.7353  1
  K  K1  2  0.5000  0.0000  0.9309  1
  La  La2  2  0.5000  0.0000  0.6375  1
  Te  Te3  4  0.3937  0.0000  0.0839  1
  Te  Te4  2  0.5000  0.0000  0.2810  1
]