[CIF]
data_FeTcBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43687738
_cell_length_b   4.43687738
_cell_length_c   5.33644855
_cell_angle_alpha   104.28533376
_cell_angle_beta   104.28533376
_cell_angle_gamma   40.55562561
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTcBr2
_chemical_formula_sum   'Fe1 Tc1 Br2'
_cell_volume   65.89819935
_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  5.61908559  -0.00000000  1.22676124  1
  Br  Br1  1  1.30092705  0.00000000  3.92174322  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Tc  Tc3  1  3.46000632  -0.00000000  2.57425223  1
[/CIF]
