data_[Nd18Os3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [10.1930]
_cell_length_b [10.1930]
_cell_length_c [9.7731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd6OsO12]
_chemical_formula_sum '[Nd18 Os3 O36]'
_cell_volume [879.3622]
_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
[
  Nd  Nd0  18  0.0458  0.7895  0.6453  1.0
  Os  Os1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0366  0.8107  0.4033  1.0
  O  O3  18  0.0397  0.8597  0.8922  1.0
]