data_NiBrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   6.55
_cell_length_c   3.99
_cell_angle_alpha   84.04
_cell_angle_beta   63.05
_cell_angle_gamma   32.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBrCl
_chemical_formula_sum   'Ni1 Br1 Cl1'
_cell_volume   76.02
_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  0.65  0.64  0.18  1.0
  Br  Br0  1  0.65  0.64  0.14  1.0
  Cl  Cl1  1  0.65  0.64  0.06  1.0

data_NiBrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.3
_cell_length_b   12.68
_cell_length_c   3.99
_cell_angle_alpha   90.0
_cell_angle_beta   114.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiBrCl
_chemical_formula_sum   'Ni2 Br2 Cl2'
_cell_volume   152.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.18  0.0  0.82  1.0
  Br  Br1  2  0.14  0.0  0.78  1.0
  Cl  Cl2  2  0.06  0.0  0.7  1.0

Ni Br Cl