# generated using pymatgen
data_Ta2ReSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87485416
_cell_length_b   5.87485412
_cell_length_c   7.04636741
_cell_angle_alpha   82.01314983
_cell_angle_beta   82.01314874
_cell_angle_gamma   120.00979975
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReSe6
_chemical_formula_sum   'Ta2 Re1 Se6'
_cell_volume   202.29726465
_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
  Ta  Ta0  1  0.83383497  0.50004386  0.49998284  1.0
  Ta  Ta1  1  0.50004386  0.83383497  0.49998284  1.0
  Re  Re2  1  0.16631941  0.16631941  0.50004722  1.0
  Se  Se3  1  0.57466145  0.24868543  0.25520462  1.0
  Se  Se4  1  0.24868543  0.57466145  0.25520462  1.0
  Se  Se5  1  0.92120341  0.92120341  0.25561207  1.0
  Se  Se6  1  0.75861388  0.75861388  0.74463246  1.0
  Se  Se7  1  0.41123809  0.08530149  0.74481666  1.0
  Se  Se8  1  0.08530149  0.41123809  0.74481666  1.0