[CIF]
data_TcNiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67092346
_cell_length_b   7.67092346
_cell_length_c   7.67092346
_cell_angle_alpha   154.06265353
_cell_angle_beta   152.54516378
_cell_angle_gamma   38.12669906
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNiBr2
_chemical_formula_sum   'Tc1 Ni1 Br2'
_cell_volume   90.88012132
_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  0.12874199  1
  Br  Br1  1  1.72149544  -0.00000000  3.69880855  1
  Ni  Ni2  1  -0.00000000  0.00000000  8.12317726  1
  Tc  Tc3  1  -0.00000000  1.82033346  2.54974202  1
[/CIF]
