data_[Na18Mo6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.4597]
_cell_length_b [11.4597]
_cell_length_c [13.6971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na3MoCl6]
_chemical_formula_sum '[Na18 Mo6 Cl36]'
_cell_volume [1557.7754]
_cell_formula_units_Z [6]
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
[
  Na  Na0  18  0.0528  0.7821  0.7005  1.0
  Mo  Mo1  3  0.0000  0.0000  0.0000  1.0
  Mo  Mo2  3  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  18  0.0214  0.8317  0.9001  1.0
  Cl  Cl4  18  0.0334  0.8459  0.3930  1.0
]