data_NbBi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.48
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBi2Cl
_chemical_formula_sum   'Nb1 Bi2 Cl1'
_cell_volume   100.72
_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  Nb3  1  0.48  0.24  0.79  1.0
  Bi  Bi0  1  0.06  0.0  0.61  1.0
  Bi  Bi1  1  0.08  0.24  0.06  1.0
  Cl  Cl2  1  0.45  0.0  0.72  1.0

data_NbBi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.48
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBi2Cl
_chemical_formula_sum   'Nb1 Bi2 Cl1'
_cell_volume   100.72
_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  Nb0  1  0.48  0.24  0.79  1.0
  Bi  Bi1  1  0.06  0.0  0.61  1.0
  Bi  Bi2  1  0.08  0.24  0.06  1.0
  Cl  Cl3  1  0.45  0.0  0.72  1.0

Nb Bi Bi Cl