data_NiSbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSbBr2
_chemical_formula_sum   'Ni1 Sb1 Br2'
_cell_volume   90.69
_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  Ni2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.51  0.0  0.0  1.0
  Br  Br0  1  0.75  0.19  0.79  1.0
  Br  Br1  1  0.75  0.81  0.79  1.0

data_NiSbBr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.58
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NiSbBr2
_chemical_formula_sum   'Ni1 Sb1 Br2'
_cell_volume   90.73
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.51  1.0
  Br  Br2  2  0.79  0.19  0.75  1.0

Ni Sb Br Br