# generated using pymatgen
data_Ta2NiSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93713694
_cell_length_b   6.93713694
_cell_length_c   15.72478795
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   150.64264212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiSe5
_chemical_formula_sum   'Ta4 Ni2 Se10'
_cell_volume   370.99457578
_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  0.22183052  0.77816948  0.11055715  1.0
  Ta  Ta1  1  0.22183052  0.77816948  0.38944285  1.0
  Ta  Ta2  1  0.77816948  0.22183052  0.88944285  1.0
  Ta  Ta3  1  0.77816948  0.22183052  0.61055715  1.0
  Ni  Ni4  1  0.70302590  0.29697410  0.25000000  1.0
  Ni  Ni5  1  0.29697410  0.70302590  0.75000000  1.0
  Se  Se6  1  0.58783917  0.41216083  0.13890255  1.0
  Se  Se7  1  0.58783917  0.41216083  0.36109745  1.0
  Se  Se8  1  0.41216083  0.58783917  0.86109745  1.0
  Se  Se9  1  0.41216083  0.58783917  0.63890255  1.0
  Se  Se10  1  0.15121183  0.84878817  0.95072963  1.0
  Se  Se11  1  0.15121183  0.84878817  0.54927037  1.0
  Se  Se12  1  0.84878817  0.15121183  0.04927037  1.0
  Se  Se13  1  0.84878817  0.15121183  0.45072963  1.0
  Se  Se14  1  0.32144524  0.67855476  0.25000000  1.0
  Se  Se15  1  0.67855476  0.32144524  0.75000000  1.0