# generated using pymatgen
data_Ta11(NiSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44293421
_cell_length_b   12.04594235
_cell_length_c   19.53314327
_cell_angle_alpha   90.02713801
_cell_angle_beta   89.99999772
_cell_angle_gamma   89.99999919
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta11(NiSe4)2
_chemical_formula_sum   'Ta22 Ni4 Se16'
_cell_volume   810.10551922
_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  0.50000051  0.82101454  0.05091021  1.0
  Ta  Ta1  1  0.49999925  0.17900095  0.94908906  1.0
  Ta  Ta2  1  0.00000016  0.67873400  0.55112160  1.0
  Ta  Ta3  1  -0.00000031  0.32124717  0.44887457  1.0
  Ta  Ta4  1  0.49999915  0.44718854  0.74139385  1.0
  Ta  Ta5  1  0.50000090  0.55279948  0.25860503  1.0
  Ta  Ta6  1  -0.00000013  0.94738534  0.75884853  1.0
  Ta  Ta7  1  -0.00000007  0.05263654  0.24114584  1.0
  Ta  Ta8  1  0.49999968  0.06230027  0.11494135  1.0
  Ta  Ta9  1  0.50000007  0.93771347  0.88505102  1.0
  Ta  Ta10  1  0.00000006  0.56240094  0.38491171  1.0
  Ta  Ta11  1  -0.00000016  0.43758232  0.61509177  1.0
  Ta  Ta12  1  0.49999944  0.17576724  0.35553154  1.0
  Ta  Ta13  1  0.50000003  0.82422740  0.64448025  1.0
  Ta  Ta14  1  0.00000036  0.67557070  0.14428321  1.0
  Ta  Ta15  1  0.00000007  0.32443925  0.85572376  1.0
  Ta  Ta16  1  0.49999948  0.15508312  0.78809156  1.0
  Ta  Ta17  1  0.50000065  0.84493565  0.21189894  1.0
  Ta  Ta18  1  0.00000020  0.65498876  0.71220177  1.0
  Ta  Ta19  1  0.00000009  0.34500532  0.28780130  1.0
  Ta  Ta20  1  0.49999966  0.49999430  0.50000063  1.0
  Ta  Ta21  1  -0.00000042  -0.00000148  0.00000036  1.0
  Ni  Ni22  1  -0.00000031  0.09254011  0.87101358  1.0
  Ni  Ni23  1  0.00000021  0.90746009  0.12896054  1.0
  Ni  Ni24  1  0.49999991  0.59229806  0.62935420  1.0
  Ni  Ni25  1  0.50000017  0.40769851  0.37065688  1.0
  Se  Se26  1  0.50000024  0.29348228  0.55523892  1.0
  Se  Se27  1  0.50000110  0.70650905  0.44475041  1.0
  Se  Se28  1  0.00000017  0.79334249  0.94464853  1.0
  Se  Se29  1  0.00000004  0.20664559  0.05536273  1.0
  Se  Se30  1  0.49999987  0.03993188  0.67566209  1.0
  Se  Se31  1  0.50000007  0.96009527  0.32432169  1.0
  Se  Se32  1  -0.00000139  0.53995796  0.82463378  1.0
  Se  Se33  1  0.00000125  0.46002929  0.17537602  1.0
  Se  Se34  1  0.50000035  0.39026050  0.94646980  1.0
  Se  Se35  1  0.50000051  0.60975643  0.05354971  1.0
  Se  Se36  1  0.00000003  0.89011689  0.55373401  1.0
  Se  Se37  1  -0.00000127  0.10986039  0.44626976  1.0
  Se  Se38  1  -0.00000116  0.28503856  0.71461955  1.0
  Se  Se39  1  0.00000145  0.71495086  0.28536889  1.0
  Se  Se40  1  0.50000010  0.78521559  0.78557122  1.0
  Se  Se41  1  0.49999999  0.21479540  0.21443584  1.0