# generated using pymatgen
data_Ta4AlSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96206385
_cell_length_b   6.96206399
_cell_length_c   12.71817938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999461
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4AlSe8
_chemical_formula_sum   'Ta8 Al2 Se16'
_cell_volume   533.86520201
_cell_formula_units_Z   2
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
  Ta  Ta0  1  0.00000000  0.00000000  0.25000000  1.0
  Ta  Ta1  1  0.00000000  0.00000000  0.75000000  1.0
  Ta  Ta2  1  0.50800919  0.01601837  0.25000000  1.0
  Ta  Ta3  1  0.49199081  0.98398163  0.75000000  1.0
  Ta  Ta4  1  0.98398163  0.49199081  0.25000000  1.0
  Ta  Ta5  1  0.01601837  0.50800919  0.75000000  1.0
  Ta  Ta6  1  0.50800919  0.49199081  0.25000000  1.0
  Ta  Ta7  1  0.49199081  0.50800919  0.75000000  1.0
  Al  Al8  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al9  1  0.00000000  0.00000000  0.50000000  1.0
  Se  Se10  1  0.33333300  0.66666700  0.61620349  1.0
  Se  Se11  1  0.66666700  0.33333300  0.38379651  1.0
  Se  Se12  1  0.66666700  0.33333300  0.11620349  1.0
  Se  Se13  1  0.33333300  0.66666700  0.88379651  1.0
  Se  Se14  1  0.16932166  0.33864332  0.12049457  1.0
  Se  Se15  1  0.83067834  0.66135668  0.87950543  1.0
  Se  Se16  1  0.66135668  0.83067834  0.12049457  1.0
  Se  Se17  1  0.83067834  0.66135668  0.62049457  1.0
  Se  Se18  1  0.33864332  0.16932166  0.87950543  1.0
  Se  Se19  1  0.16932166  0.33864332  0.37950543  1.0
  Se  Se20  1  0.16932166  0.83067834  0.12049457  1.0
  Se  Se21  1  0.33864332  0.16932166  0.62049457  1.0
  Se  Se22  1  0.83067834  0.16932166  0.87950543  1.0
  Se  Se23  1  0.66135668  0.83067834  0.37950543  1.0
  Se  Se24  1  0.83067834  0.16932166  0.62049457  1.0
  Se  Se25  1  0.16932166  0.83067834  0.37950543  1.0