data_SrNbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   4.64
_cell_angle_alpha   103.65
_cell_angle_beta   103.65
_cell_angle_gamma   32.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbCl2
_chemical_formula_sum   'Sr1 Nb1 Cl2'
_cell_volume   100.6
_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
  Sr  Sr3  1  0.02  0.0  0.01  1.0
  Nb  Nb2  1  0.55  0.0  0.37  1.0
  Cl  Cl0  1  0.1  0.0  0.11  1.0
  Cl  Cl1  1  0.2  0.0  0.26  1.0

data_SrNbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.64
_cell_length_c   6.45
_cell_angle_alpha   103.65
_cell_angle_beta   106.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbCl2
_chemical_formula_sum   'Sr1 Nb1 Cl2'
_cell_volume   100.6
_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
  Sr  Sr0  1  0.0  0.01  0.02  1.0
  Nb  Nb1  1  0.0  0.37  0.55  1.0
  Cl  Cl2  1  0.0  0.11  0.1  1.0
  Cl  Cl3  1  0.0  0.26  0.2  1.0

Sr Nb Cl Cl