data_[La12C4S2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  C  2.5500  0.7000  0.3000
  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 [6.8937]
_cell_length_b [11.9494]
_cell_length_c [7.5657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6C2SCl3]
_chemical_formula_sum '[La12 C4 S2 Cl6]'
_cell_volume [593.5380]
_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  8  0.2438  0.1777  0.1979  1.0
  La  La1  4  0.2107  0.5000  0.1976  1.0
  C  C2  4  0.0000  0.3334  0.0000  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1641  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]