data_[La18Os3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.3537]
_cell_length_b [10.3537]
_cell_length_c [9.9775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La6OsO12]
_chemical_formula_sum '[La18 Os3 O36]'
_cell_volume [926.2852]
_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
[
  La  La0  18  0.0466  0.2547  0.6480  1.0
  Os  Os1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0371  0.2276  0.4046  1.0
  O  O3  18  0.0398  0.1765  0.8940  1.0
]