[CIF]
data_NiMo2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25087840
_cell_length_b   5.25087840
_cell_length_c   5.25087840
_cell_angle_alpha   138.41101617
_cell_angle_beta   138.41101617
_cell_angle_gamma   60.27408791
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMo2Br
_chemical_formula_sum   'Ni1 Mo2 Br1'
_cell_volume   63.12241927
_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  4.54110138  1
  Mo  Mo1  1  -0.00000000  1.86415158  2.27055069  1
  Mo  Mo2  1  1.86415158  0.00000000  2.27055069  1
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
