# generated using pymatgen
data_NaZrBr18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16858712
_cell_length_b   9.16858489
_cell_length_c   9.16858576
_cell_angle_alpha   92.88456092
_cell_angle_beta   92.88455925
_cell_angle_gamma   92.88456238
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrBr18
_chemical_formula_sum   'Na1 Zr1 Br18'
_cell_volume   767.70652563
_cell_formula_units_Z   1
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  1  0.50000000  0.50000000  0.50000000  1.0
  Zr  Zr1  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br2  1  0.28351808  0.97787921  0.05211179  1.0
  Br  Br3  1  0.05211179  0.28351808  0.97787921  1.0
  Br  Br4  1  0.97787921  0.05211179  0.28351808  1.0
  Br  Br5  1  0.71648192  0.02212079  0.94788821  1.0
  Br  Br6  1  0.94788821  0.71648192  0.02212079  1.0
  Br  Br7  1  0.02212079  0.94788821  0.71648192  1.0
  Br  Br8  1  0.64581913  0.28411226  0.08580837  1.0
  Br  Br9  1  0.08580837  0.64581913  0.28411226  1.0
  Br  Br10  1  0.28411226  0.08580837  0.64581913  1.0
  Br  Br11  1  0.35418087  0.71588774  0.91419163  1.0
  Br  Br12  1  0.91419163  0.35418087  0.71588774  1.0
  Br  Br13  1  0.71588774  0.91419163  0.35418087  1.0
  Br  Br14  1  0.51449345  0.19619264  0.58720207  1.0
  Br  Br15  1  0.58720207  0.51449345  0.19619264  1.0
  Br  Br16  1  0.19619264  0.58720207  0.51449345  1.0
  Br  Br17  1  0.48550655  0.80380736  0.41279793  1.0
  Br  Br18  1  0.41279793  0.48550655  0.80380736  1.0
  Br  Br19  1  0.80380736  0.41279793  0.48550655  1.0