data_[La12Ge4S6Cl2]
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
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5735]
_cell_length_b [4.2834]
_cell_length_c [8.5409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ge2S3Cl]
_chemical_formula_sum '[La12 Ge4 S6 Cl2]'
_cell_volume [662.3802]
_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  0.0001  0.0000  0.7301  1.0
  La  La1  4  0.1669  0.5000  0.5839  1.0
  La  La2  4  0.1719  0.5000  0.0863  1.0
  Ge  Ge3  4  0.1631  0.0000  0.3267  1.0
  S  S4  4  0.1653  0.0000  0.8355  1.0
  S  S5  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]