# generated using pymatgen
data_Na(TiSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32078656
_cell_length_b   8.32078655
_cell_length_c   8.32078719
_cell_angle_alpha   50.89317380
_cell_angle_beta   50.89317461
_cell_angle_gamma   50.89316357
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na(TiSe2)4
_chemical_formula_sum   'Na1 Ti4 Se8'
_cell_volume   319.88506544
_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
  Ti  Ti1  1  0.00000000  0.50000000  0.50000000  1.0
  Ti  Ti2  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti3  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.26038823  0.76433220  0.76433220  1.0
  Se  Se6  1  0.23566780  0.23566780  0.73961177  1.0
  Se  Se7  1  0.73961177  0.23566780  0.23566780  1.0
  Se  Se8  1  0.23566780  0.73961177  0.23566780  1.0
  Se  Se9  1  0.26325099  0.26325099  0.26325099  1.0
  Se  Se10  1  0.73674901  0.73674901  0.73674901  1.0
  Se  Se11  1  0.76433220  0.26038823  0.76433220  1.0
  Se  Se12  1  0.76433220  0.76433220  0.26038823  1.0