data_[La12Ru6I2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7721]
_cell_length_b [4.2010]
_cell_length_c [9.1794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ru3ICl2]
_chemical_formula_sum '[La12 Ru6 I2 Cl4]'
_cell_volume [711.0973]
_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  0.0108  0.0000  0.7096  1.0
  La  La1  4  0.1599  0.5000  0.6087  1.0
  La  La2  4  0.1852  0.5000  0.0595  1.0
  Ru  Ru3  4  0.1699  0.0000  0.8213  1.0
  Ru  Ru4  2  0.0000  0.5000  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl6  4  0.1693  0.0000  0.3332  1.0
]