data_[Sr3La18Os3I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  Os  2.2000  1.3000  0.6730
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [16.3465]
_cell_length_b [16.3465]
_cell_length_c [11.6408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [SrLa6OsI12]
_chemical_formula_sum '[Sr3 La18 Os3 I36]'
_cell_volume [2693.7899]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.5000  1.0
  La  La1  18  0.0413  0.8809  0.8591  1.0
  Os  Os2  3  0.0000  0.0000  0.0000  1.0
  I  I3  18  0.0199  0.4340  0.6577  1.0
  I  I4  18  0.0470  0.8695  0.3266  1.0
]