data_SrNbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbCl2
_chemical_formula_sum   'Sr1 Nb1 Cl2'
_cell_volume   99.38
_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
  Sr  Sr3  1  0.0  0.0  0.53  1.0
  Nb  Nb2  1  0.71  0.71  0.81  1.0
  Cl  Cl0  1  0.71  0.71  0.18  1.0
  Cl  Cl1  1  0.0  0.0  0.76  1.0

data_SrNbCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrNbCl2
_chemical_formula_sum   'Sr2 Nb2 Cl4'
_cell_volume   198.77
_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
  Sr  Sr0  2  0.0  0.0  0.53  1.0
  Nb  Nb1  2  0.21  0.5  0.81  1.0
  Cl  Cl2  2  0.0  0.0  0.76  1.0
  Cl  Cl3  2  0.21  0.5  0.18  1.0

Sr Nb Cl Cl
SrNbCl2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a distorted single-bond geometry to one Cl(1) and one Cl(2) atom. The Sr(1)-Cl(1) bond length is 3.29 Å. The Sr(1)-Cl(2) bond length is 1.96 Å. Nb(1) is bonded in a distorted single-bond geometry to one Cl(1) and three equivalent Cl(2) atoms. The Nb(1)-Cl(1) bond length is 3.13 Å. There is one shorter (1.48 Å) and two longer (2.66 Å) Nb(1)-Cl(2) bond lengths. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to one Sr(1) and one Nb(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Sr(1) and three equivalent Nb(1) atoms.