[CIF]
data_NiTe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00839950
_cell_length_b   5.00839950
_cell_length_c   5.00839950
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTe2Br
_chemical_formula_sum   'Ni1 Te2 Br1'
_cell_volume   88.83454719
_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  3.54147325  3.54147325  3.54147325  1
  Ni  Ni1  1  0.00000000  0.00000000  0.00000000  1
  Te  Te2  1  5.31220988  5.31220988  5.31220988  1
  Te  Te3  1  1.77073663  1.77073663  1.77073662  1
[/CIF]
