data_NbBiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59
_cell_length_b   7.59
_cell_length_c   7.59
_cell_angle_alpha   155.79
_cell_angle_beta   155.79
_cell_angle_gamma   34.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiCl
_chemical_formula_sum   'Nb1 Bi1 Cl1'
_cell_volume   73.43
_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
  Nb  Nb2  1  0.0  0.0  0.87  1.0
  Bi  Bi0  1  0.0  0.0  0.5  1.0
  Cl  Cl1  1  0.0  0.0  0.12  1.0

data_NbBiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbBiCl
_chemical_formula_sum   'Nb2 Bi2 Cl2'
_cell_volume   146.85
_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
  Nb  Nb0  2  0.0  0.0  0.13  1.0
  Bi  Bi1  2  0.0  0.0  0.5  1.0
  Cl  Cl2  2  0.0  0.0  0.88  1.0

Nb Bi Cl
Nb Bi Cl 0 2 o o + 0 1 o o o 1 1 + o + 1 1 o + + 1 2 o o o 