data_[La12S4N6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5556]
_cell_length_b [3.8519]
_cell_length_c [8.1089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6S2N3Cl]
_chemical_formula_sum '[La12 S4 N6 Cl2]'
_cell_volume [522.2230]
_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  0.0118  0.0000  0.7186  1.0
  La  La1  4  0.1598  0.5000  0.6020  1.0
  La  La2  4  0.1786  0.5000  0.0611  1.0
  S  S3  4  0.1630  0.0000  0.3265  1.0
  N  N4  4  0.1690  0.0000  0.8344  1.0
  N  N5  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]