[CIF]
data_ZrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24582913
_cell_length_b   5.24582913
_cell_length_c   17.41597084
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2
_chemical_formula_sum   'Zr8 Tc16'
_cell_volume   415.05590942
_cell_formula_units_Z   8
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
  Tc  Tc0  1  2.62291457  1.51434043  2.21165152  1
  Tc  Tc1  1  0.00000000  3.02868086  15.20431932  1
  Tc  Tc2  1  0.00000000  3.02868086  10.91963694  1
  Tc  Tc3  1  2.62291457  1.51434043  6.49633390  1
  Tc  Tc4  1  -1.31145728  2.27151065  0.00000000  1
  Tc  Tc5  1  1.31145728  2.27151065  0.00000000  1
  Tc  Tc6  1  2.62291457  0.00000000  0.00000000  1
  Tc  Tc7  1  -1.31145728  2.27151065  8.70798542  1
  Tc  Tc8  1  1.31145728  2.27151065  8.70798542  1
  Tc  Tc9  1  2.62291457  0.00000000  8.70798542  1
  Tc  Tc10  1  1.26848158  0.73235818  4.35399271  1
  Tc  Tc11  1  3.97734756  0.73235818  4.35399271  1
  Tc  Tc12  1  2.62291457  3.07830493  4.35399271  1
  Tc  Tc13  1  1.35443299  3.81066311  13.06197813  1
  Tc  Tc14  1  -1.35443299  3.81066311  13.06197813  1
  Tc  Tc15  1  0.00000000  1.46471636  13.06197813  1
  Zr  Zr16  1  0.00000000  0.00000000  1.61706836  1
  Zr  Zr17  1  0.00000000  0.00000000  15.79890248  1
  Zr  Zr18  1  0.00000000  0.00000000  10.32505378  1
  Zr  Zr19  1  0.00000000  0.00000000  7.09091706  1
  Zr  Zr20  1  2.62291457  1.51434043  14.70002177  1
  Zr  Zr21  1  0.00000000  3.02868086  2.71594907  1
  Zr  Zr22  1  0.00000000  3.02868086  5.99203635  1
  Zr  Zr23  1  2.62291457  1.51434043  11.42393449  1
[/CIF]
