data_NiSb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Br
_chemical_formula_sum   'Ni1 Sb2 Br1'
_cell_volume   94.74
_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
  Ni  Ni1  1  0.0  0.0  0.25  1.0
  Sb  Sb2  1  0.82  0.0  0.54  1.0
  Sb  Sb3  1  0.0  0.0  0.91  1.0
  Br  Br0  1  0.82  0.0  0.87  1.0

data_NiSb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Br
_chemical_formula_sum   'Ni1 Sb2 Br1'
_cell_volume   94.74
_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
  Ni  Ni0  1  0.0  0.0  0.25  1.0
  Sb  Sb1  1  0.0  0.0  0.91  1.0
  Sb  Sb2  1  0.82  0.0  0.54  1.0
  Br  Br3  1  0.82  0.0  0.87  1.0

Ni Sb Sb Br