data_[La12Ge4Te6Se2]
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 [19.7160]
_cell_length_b [4.4737]
_cell_length_c [9.0548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ge2Te3Se]
_chemical_formula_sum '[La12 Ge4 Te6 Se2]'
_cell_volume [773.3658]
_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  0.0074  0.0000  0.2424  1
  La  La1  4  0.1639  0.5000  0.0999  1
  La  La2  4  0.1722  0.5000  0.5689  1
  Ge  Ge3  4  0.1653  0.0000  0.3297  1
  Te  Te4  4  0.1650  0.0000  0.8332  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]