data_[Na18Cr6Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cr  1.6600  1.4000  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9477]
_cell_length_b [11.9477]
_cell_length_c [14.4850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na3CrBr6]
_chemical_formula_sum '[Na18 Cr6 Br36]'
_cell_volume [1790.6772]
_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  0.0583  0.2709  0.7000  1.0
  Cr  Cr1  3  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  3  0.0000  0.0000  0.5000  1.0
  Br  Br3  18  0.0176  0.1841  0.9007  1.0
  Br  Br4  18  0.0392  0.1885  0.3975  1.0
]