data_[La12Ge2Se6S4]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7491]
_cell_length_b [4.2806]
_cell_length_c [8.6017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6GeSe3S2]
_chemical_formula_sum '[La12 Ge2 Se6 S4]'
_cell_volume [670.0993]
_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  0.0034  0.0000  0.2467  1
  La  La1  4  0.1646  0.5000  0.0919  1
  La  La2  4  0.1700  0.5000  0.5744  1
  Ge  Ge3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.1663  0.0000  0.8316  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  S  S6  4  0.1677  0.0000  0.3345  1
]