# generated using pymatgen
data_Ta2Se8I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49554854
_cell_length_b   9.49554854
_cell_length_c   9.49554854
_cell_angle_alpha   117.92335404
_cell_angle_beta   117.92335404
_cell_angle_gamma   93.63613831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Se8I
_chemical_formula_sum   'Ta4 Se16 I2'
_cell_volume   623.04933948
_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  0.25000000  0.75000000  0.50000000  1.0
  Ta  Ta1  1  0.75000000  0.25000000  0.50000000  1.0
  Ta  Ta2  1  0.00000000  0.50000000  0.50000000  1.0
  Ta  Ta3  1  0.50000000  0.00000000  0.50000000  1.0
  Se  Se4  1  0.34013300  0.67567000  0.75545600  1.0
  Se  Se5  1  0.92021400  0.58467700  0.24454400  1.0
  Se  Se6  1  0.32433000  0.65986700  0.24454400  1.0
  Se  Se7  1  0.58467700  0.34013300  0.66446200  1.0
  Se  Se8  1  0.67567000  0.92021400  0.33553800  1.0
  Se  Se9  1  0.65986700  0.41532300  0.33553800  1.0
  Se  Se10  1  0.19552100  0.99845100  0.43384000  1.0
  Se  Se11  1  0.99845100  0.56461100  0.80293000  1.0
  Se  Se12  1  0.76168100  0.19552100  0.19707000  1.0
  Se  Se13  1  0.43538900  0.00154900  0.19707000  1.0
  Se  Se14  1  0.80447900  0.23831900  0.80293000  1.0
  Se  Se15  1  0.56461100  0.76168100  0.56616000  1.0
  Se  Se16  1  0.00154900  0.80447900  0.56616000  1.0
  Se  Se17  1  0.23831900  0.43538900  0.43384000  1.0
  Se  Se18  1  0.41532300  0.07978600  0.75545600  1.0
  Se  Se19  1  0.07978600  0.32433000  0.66446200  1.0
  I  I20  1  0.84554100  0.84554100  0.00000000  1.0
  I  I21  1  0.15445900  0.15445900  0.00000000  1.0