data_NiBiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiCl2
_chemical_formula_sum   'Ni1 Bi1 Cl2'
_cell_volume   94.6
_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  Ni3  1  0.0  0.0  0.27  1.0
  Bi  Bi0  1  0.98  0.0  0.32  1.0
  Cl  Cl1  1  0.0  0.0  0.22  1.0
  Cl  Cl2  1  0.98  0.0  0.27  1.0

data_NiBiCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.95
_cell_length_b   3.95
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiBiCl2
_chemical_formula_sum   'Ni2 Bi2 Cl4'
_cell_volume   189.19
_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  0.0  0.0  0.27  1.0
  Bi  Bi1  2  0.49  0.5  0.32  1.0
  Cl  Cl2  2  0.0  0.0  0.22  1.0
  Cl  Cl3  2  0.49  0.5  0.27  1.0

Ni Bi Cl Cl