data_Nb2SnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   3.06
_cell_angle_alpha   102.42
_cell_angle_beta   102.42
_cell_angle_gamma   112.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnCl
_chemical_formula_sum   'Nb2 Sn1 Cl1'
_cell_volume   78.73
_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  Nb1  1  0.93  0.29  0.41  1.0
  Nb  Nb2  1  0.93  0.71  0.41  1.0
  Sn  Sn3  1  0.05  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Nb2SnCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   112.68
_cell_angle_beta   102.42
_cell_angle_gamma   102.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnCl
_chemical_formula_sum   'Nb2 Sn1 Cl1'
_cell_volume   78.73
_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  0.41  0.93  0.29  1.0
  Nb  Nb1  1  0.41  0.93  0.71  1.0
  Sn  Sn2  1  0.0  0.05  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Nb Nb Sn Cl