# generated using pymatgen
data_Ca(TiSe2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16112511
_cell_length_b   7.16112450
_cell_length_c   13.43451403
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999330
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(TiSe2)8
_chemical_formula_sum   'Ca1 Ti8 Se16'
_cell_volume   596.64376651
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50273679  0.49726321  0.73222057  1.0
  Ti  Ti2  1  0.49726321  0.50273679  0.26777943  1.0
  Ti  Ti3  1  0.50273679  0.00547359  0.73222057  1.0
  Ti  Ti4  1  0.49726321  0.99452641  0.26777943  1.0
  Ti  Ti5  1  0.99452641  0.49726321  0.73222057  1.0
  Ti  Ti6  1  0.00547359  0.50273679  0.26777943  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.73009601  1.0
  Ti  Ti8  1  0.00000000  0.00000000  0.26990399  1.0
  Se  Se9  1  0.83227431  0.66454962  0.15294249  1.0
  Se  Se10  1  0.83321802  0.66643704  0.62002607  1.0
  Se  Se11  1  0.83227431  0.16772569  0.15294249  1.0
  Se  Se12  1  0.83321802  0.16678198  0.62002607  1.0
  Se  Se13  1  0.33333300  0.66666700  0.15234124  1.0
  Se  Se14  1  0.33333300  0.66666700  0.62357467  1.0
  Se  Se15  1  0.33545038  0.16772569  0.15294249  1.0
  Se  Se16  1  0.33356296  0.16678198  0.62002607  1.0
  Se  Se17  1  0.66454962  0.83227431  0.84705751  1.0
  Se  Se18  1  0.66643704  0.83321802  0.37997393  1.0
  Se  Se19  1  0.66666700  0.33333300  0.84765876  1.0
  Se  Se20  1  0.66666700  0.33333300  0.37642533  1.0
  Se  Se21  1  0.16772569  0.83227431  0.84705751  1.0
  Se  Se22  1  0.16678198  0.83321802  0.37997393  1.0
  Se  Se23  1  0.16772569  0.33545038  0.84705751  1.0
  Se  Se24  1  0.16678198  0.33356296  0.37997393  1.0