# generated using pymatgen
data_Na(TiSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27601150
_cell_length_b   7.24756859
_cell_length_c   14.65872649
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na(TiSe2)2
_chemical_formula_sum   'Na4 Ti8 Se16'
_cell_volume   666.76425057
_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  0.34416365  0.00000000  0.00000000  1.0
  Na  Na1  1  0.65583635  0.50000000  0.50000000  1.0
  Na  Na2  1  0.01280070  0.00000000  0.50000000  1.0
  Na  Na3  1  0.98719930  0.50000000  0.00000000  1.0
  Ti  Ti4  1  0.99909194  0.00000000  0.24923513  1.0
  Ti  Ti5  1  0.99909194  0.00000000  0.75076487  1.0
  Ti  Ti6  1  0.00090806  0.50000000  0.25076487  1.0
  Ti  Ti7  1  0.00090806  0.50000000  0.74923513  1.0
  Ti  Ti8  1  0.50000000  0.25000000  0.25000000  1.0
  Ti  Ti9  1  0.50000000  0.75000000  0.75000000  1.0
  Ti  Ti10  1  0.50000000  0.75000000  0.25000000  1.0
  Ti  Ti11  1  0.50000000  0.25000000  0.75000000  1.0
  Se  Se12  1  0.83294975  0.24994847  0.35368793  1.0
  Se  Se13  1  0.83294975  0.75005153  0.64631207  1.0
  Se  Se14  1  0.16705025  0.74994847  0.14631207  1.0
  Se  Se15  1  0.16705025  0.25005153  0.85368793  1.0
  Se  Se16  1  0.16705025  0.25005153  0.14631207  1.0
  Se  Se17  1  0.16705025  0.74994847  0.85368793  1.0
  Se  Se18  1  0.83294975  0.75005153  0.35368793  1.0
  Se  Se19  1  0.83294975  0.24994847  0.64631207  1.0
  Se  Se20  1  0.66887810  0.00000000  0.14727001  1.0
  Se  Se21  1  0.66887810  0.00000000  0.85272999  1.0
  Se  Se22  1  0.33112190  0.50000000  0.35272999  1.0
  Se  Se23  1  0.33112190  0.50000000  0.64727001  1.0
  Se  Se24  1  0.33433076  0.00000000  0.35191643  1.0
  Se  Se25  1  0.33433076  0.00000000  0.64808357  1.0
  Se  Se26  1  0.66566924  0.50000000  0.14808357  1.0
  Se  Se27  1  0.66566924  0.50000000  0.85191643  1.0