data_Nb2SnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   148.77
_cell_angle_beta   129.88
_cell_angle_gamma   60.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnCl
_chemical_formula_sum   'Nb2 Sn1 Cl1'
_cell_volume   80.58
_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  0.59  0.0  0.06  1.0
  Nb  Nb2  1  0.0  0.0  0.2  1.0
  Sn  Sn3  1  0.59  0.0  0.02  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   3.17
_cell_length_b   4.99
_cell_length_c   5.89
_cell_angle_alpha   115.06
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnCl
_chemical_formula_sum   'Nb2 Sn1 Cl1'
_cell_volume   80.58
_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  0.52  0.94  0.52  1.0
  Nb  Nb1  1  0.8  0.8  0.8  1.0
  Sn  Sn2  1  0.56  0.98  0.56  1.0
  Cl  Cl3  1  1.0  1.0  1.0  1.0

Nb Nb Sn Cl
Nb Nb Sn Cl 0 2 o o o 1 3 o o o 