data_[La12Ge4Te2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1218]
_cell_length_b [4.4107]
_cell_length_c [8.8333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ge2TeSe3]
_chemical_formula_sum '[La12 Ge4 Te2 Se6]'
_cell_volume [726.9419]
_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  0.0051  0.0000  0.2666  1.0
  La  La1  4  0.1696  0.5000  0.5767  1.0
  La  La2  4  0.1717  0.5000  0.0990  1.0
  Ge  Ge3  4  0.1663  0.0000  0.3319  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1639  0.0000  0.8345  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]