data_[La12Ir4S6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  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 [18.5056]
_cell_length_b [4.1275]
_cell_length_c [8.6377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ir2S3Cl]
_chemical_formula_sum '[La12 Ir4 S6 Cl2]'
_cell_volume [637.8706]
_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  0.0063  0.0000  0.2709  1.0
  La  La1  4  0.1701  0.5000  0.5772  1.0
  La  La2  4  0.1742  0.5000  0.1021  1.0
  Ir  Ir3  4  0.1656  0.0000  0.3298  1.0
  S  S4  4  0.1590  0.0000  0.8380  1.0
  S  S5  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]