data_[La20Ge8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.3367]
_cell_length_b [8.3889]
_cell_length_c [8.4734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La5(GeTe)2]
_chemical_formula_sum '[La20 Ge8 Te8]'
_cell_volume [1161.2432]
_cell_formula_units_Z [4]
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
[
  La  La0  16  0.1259  0.1641  0.3369  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  8  0.0000  0.1393  0.6375  1.0
  Te  Te3  8  0.2029  0.0000  0.0000  1.0
]