[CIF]
data_FeTe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24559487
_cell_length_b   9.24559487
_cell_length_c   9.24559487
_cell_angle_alpha   22.15330733
_cell_angle_beta   22.15330733
_cell_angle_gamma   22.15330733
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTe2Br
_chemical_formula_sum   'Fe1 Te2 Br1'
_cell_volume   98.53513822
_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  14.37092080  1
  Fe  Fe1  1  -0.00000000  -0.00000000  6.81608298  1
  Te  Te2  1  -0.00000000  0.00000000  26.25842426  1
  Te  Te3  1  -0.00000000  -0.00000000  20.16869000  1
[/CIF]
