data_[La8Ru4I10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.3415]
_cell_length_b [4.3328]
_cell_length_c [9.1725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Ru2I5]
_chemical_formula_sum '[La8 Ru4 I10]'
_cell_volume [875.4571]
_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  0.0245  0.0000  0.7177  1
  La  La1  4  0.1599  0.5000  0.5882  1
  Ru  Ru2  4  0.0562  0.5000  0.5313  1
  I  I3  4  0.1680  0.0000  0.8639  1
  I  I4  4  0.1888  0.0000  0.3310  1
  I  I5  2  0.0000  0.5000  0.0000  1
]