data_SrNbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   6.98
_cell_length_c   3.24
_cell_angle_alpha   78.93
_cell_angle_beta   74.5
_cell_angle_gamma   26.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbCl
_chemical_formula_sum   'Sr1 Nb1 Cl1'
_cell_volume   68.87
_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  Sr2  1  0.08  0.48  0.54  1.0
  Nb  Nb1  1  0.08  0.48  0.61  1.0
  Cl  Cl0  1  0.08  0.48  0.18  1.0

data_SrNbCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   13.32
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   130.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrNbCl
_chemical_formula_sum   'Sr2 Nb2 Cl2'
_cell_volume   137.73
_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  0.08  0.0  0.62  1.0
  Nb  Nb1  2  0.08  0.0  0.69  1.0
  Cl  Cl2  2  0.08  0.0  0.26  1.0

Sr Nb Cl
Sr Nb Cl 0 1 o o o 0 2 o o o 1 2 o o o 