[CIF]
data_ZrTaFe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55209385
_cell_length_b   6.55209385
_cell_length_c   10.24568553
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92158091
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaFe6
_chemical_formula_sum   'Zr4 Ta4 Fe24'
_cell_volume   428.70838211
_cell_formula_units_Z   4
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
  Fe  Fe0  1  4.08228245  -2.51902674  7.62586026  1
  Fe  Fe1  1  2.06655964  -1.27223601  8.93756917  1
  Fe  Fe2  1  6.09800526  1.27223601  8.93756917  1
  Fe  Fe3  1  4.08228245  2.51902674  7.62586026  1
  Fe  Fe4  1  6.09800526  -1.27223601  8.93756917  1
  Fe  Fe5  1  2.06655964  1.27223601  8.93756917  1
  Fe  Fe6  1  0.00000000  0.00000000  5.12284276  1
  Fe  Fe7  1  6.09792696  1.29014897  6.37794580  1
  Fe  Fe8  1  6.09792696  -1.29014897  6.37794580  1
  Fe  Fe9  1  4.08228245  -2.51902674  2.61982527  1
  Fe  Fe10  1  2.06663794  -1.29014897  3.86773973  1
  Fe  Fe11  1  6.09792696  1.29014897  3.86773973  1
  Fe  Fe12  1  4.08228245  2.51902674  2.61982527  1
  Fe  Fe13  1  6.09792696  -1.29014897  3.86773973  1
  Fe  Fe14  1  2.06663794  1.29014897  3.86773973  1
  Fe  Fe15  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe16  1  6.09800526  1.27223601  1.30811636  1
  Fe  Fe17  1  6.09800526  -1.27223601  1.30811636  1
  Fe  Fe18  1  4.08228245  0.00000000  5.12284276  1
  Fe  Fe19  1  2.06663794  1.29014897  6.37794580  1
  Fe  Fe20  1  2.06663794  -1.29014897  6.37794580  1
  Fe  Fe21  1  4.08228245  0.00000000  0.00000000  1
  Fe  Fe22  1  2.06655964  1.27223601  1.30811636  1
  Fe  Fe23  1  2.06655964  -1.27223601  1.30811636  1
  Ta  Ta24  1  4.08228245  -2.58408136  5.12284276  1
  Ta  Ta25  1  4.08228245  2.58408136  5.12284276  1
  Ta  Ta26  1  4.08228245  0.00000000  7.68104680  1
  Ta  Ta27  1  4.08228245  0.00000000  2.56463873  1
  Zr  Zr28  1  4.08228245  -2.57881673  0.00000000  1
  Zr  Zr29  1  4.08228245  2.57881673  0.00000000  1
  Zr  Zr30  1  0.00000000  0.00000000  7.67384562  1
  Zr  Zr31  1  0.00000000  0.00000000  2.57183991  1
[/CIF]
