# generated using pymatgen
data_NaInI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82053803
_cell_length_b   8.62170242
_cell_length_c   15.72519951
_cell_angle_alpha   87.17748477
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInI4
_chemical_formula_sum   'Na4 In4 I16'
_cell_volume   1059.00655304
_cell_formula_units_Z   4
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  0.99638336  0.85055891  0.37307531  1.0
  Na  Na1  1  0.49638336  0.14944109  0.12692469  1.0
  Na  Na2  1  0.00361664  0.14944109  0.62692469  1.0
  Na  Na3  1  0.50361664  0.85055891  0.87307531  1.0
  In  In4  1  0.18777126  0.70293535  0.60075321  1.0
  In  In5  1  0.68777126  0.29706465  0.89924679  1.0
  In  In6  1  0.81222874  0.29706465  0.39924679  1.0
  In  In7  1  0.31222874  0.70293535  0.10075321  1.0
  I  I8  1  0.33026692  0.68262023  0.44356075  1.0
  I  I9  1  0.83026692  0.31737977  0.05643925  1.0
  I  I10  1  0.66973308  0.31737977  0.55643925  1.0
  I  I11  1  0.16973308  0.68262023  0.94356075  1.0
  I  I12  1  0.14276111  0.19080702  0.42810593  1.0
  I  I13  1  0.64276111  0.80919298  0.07189407  1.0
  I  I14  1  0.85723889  0.80919298  0.57189407  1.0
  I  I15  1  0.35723889  0.19080702  0.92810593  1.0
  I  I16  1  0.34313804  0.94232113  0.68346837  1.0
  I  I17  1  0.84313804  0.05767887  0.81653163  1.0
  I  I18  1  0.65686196  0.05767887  0.31653163  1.0
  I  I19  1  0.15686196  0.94232113  0.18346837  1.0
  I  I20  1  0.20620293  0.43675822  0.70012103  1.0
  I  I21  1  0.70620293  0.56324178  0.79987897  1.0
  I  I22  1  0.79379707  0.56324178  0.29987897  1.0
  I  I23  1  0.29379707  0.43675822  0.20012103  1.0
