data_Ta2SnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.95
_cell_angle_alpha   115.63
_cell_angle_beta   115.63
_cell_angle_gamma   31.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnCl
_chemical_formula_sum   'Ta2 Sn1 Cl1'
_cell_volume   79.49
_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
  Ta  Ta2  1  0.84  0.0  0.89  1.0
  Ta  Ta3  1  0.71  0.0  0.42  1.0
  Sn  Sn1  1  0.77  0.0  0.66  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ta2SnCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.32
_cell_length_c   5.95
_cell_angle_alpha   115.63
_cell_angle_beta   90.0
_cell_angle_gamma   105.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnCl
_chemical_formula_sum   'Ta2 Sn1 Cl1'
_cell_volume   79.49
_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
  Ta  Ta0  1  0.0  0.16  0.11  1.0
  Ta  Ta1  1  0.0  0.29  0.58  1.0
  Sn  Sn2  1  0.0  0.23  0.34  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ta Ta Sn Cl
Ta Ta Sn Cl 0 3 + o + 0 2 o o o 1 2 o o o 