[CIF]
data_TcHg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29989455
_cell_length_b   3.29989455
_cell_length_c   8.43218602
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.01003425
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Br
_chemical_formula_sum   'Tc1 Hg2 Br1'
_cell_volume   88.68776167
_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
  Hg  Hg1  1  2.00861927  -0.00000000  2.28840784  1
  Hg  Hg2  1  2.00861927  -0.00000000  6.14377818  1
  Tc  Tc3  1  0.00000000  0.00000000  4.21609301  1
[/CIF]
