[CIF]
data_ZrTc2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05825461
_cell_length_b   4.87294299
_cell_length_c   4.77840112
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.04965613
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2Br
_chemical_formula_sum   'Zr1 Tc2 Br1'
_cell_volume   71.21105342
_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
  Br  Br0  1  0.00000000  0.00000000  0.00000000  1
  Tc  Tc1  1  0.48592774  2.43647150  3.52187206  1
  Tc  Tc2  1  2.56818561  2.43647150  1.25652727  1
  Zr  Zr3  1  1.52705667  0.00000000  2.38919966  1
[/CIF]
