[CIF]
data_Nb4TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41618251
_cell_length_b   5.41618251
_cell_length_c   5.41618251
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4TcBr
_chemical_formula_sum   'Nb4 Tc1 Br1'
_cell_volume   112.34787777
_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
  Nb  Nb1  1  4.78064442  4.78064442  2.87899434  1
  Nb  Nb2  1  4.78064442  2.87899434  4.78064442  1
  Nb  Nb3  1  2.87899434  4.78064442  4.78064442  1
  Nb  Nb4  1  2.87899434  2.87899434  2.87899434  1
  Tc  Tc5  1  5.74472907  5.74472907  5.74472907  1
[/CIF]
