data_[La12Ge4Sb2Te6]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9212]
_cell_length_b [4.5439]
_cell_length_c [9.2056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ge2SbTe3]
_chemical_formula_sum '[La12 Ge4 Sb2 Te6]'
_cell_volume [809.4060]
_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
[
  La  La0  4  0.0092  0.0000  0.2489  1.0
  La  La1  4  0.1666  0.5000  0.1053  1.0
  La  La2  4  0.1732  0.5000  0.5679  1.0
  Ge  Ge3  4  0.1671  0.0000  0.3336  1.0
  Sb  Sb4  2  0.0000  0.5000  0.0000  1.0
  Te  Te5  4  0.1640  0.0000  0.8332  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]