data_[La12Ge6Te2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0834]
_cell_length_b [4.3819]
_cell_length_c [8.7937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ge3TeS2]
_chemical_formula_sum '[La12 Ge6 Te2 S4]'
_cell_volume [716.1740]
_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  0.0022  0.0000  0.2667  1
  La  La1  4  0.1670  0.5000  0.5833  1
  La  La2  4  0.1733  0.5000  0.0871  1
  Ge  Ge3  4  0.1646  0.0000  0.8308  1
  Ge  Ge4  2  0.0000  0.5000  0.5000  1
  Te  Te5  2  0.0000  0.5000  0.0000  1
  S  S6  4  0.1688  0.0000  0.3362  1
]