data_ScSn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   3.43
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   101.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Cl
_chemical_formula_sum   'Sc1 Sn2 Cl1'
_cell_volume   108.99
_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
  Sc  Sc1  1  0.2  0.72  0.81  1.0
  Sn  Sn2  1  0.31  0.0  0.2  1.0
  Sn  Sn3  1  0.41  0.72  0.66  1.0
  Cl  Cl0  1  0.23  0.0  0.6  1.0

data_ScSn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.88
_cell_length_c   8.36
_cell_angle_alpha   101.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Cl
_chemical_formula_sum   'Sc1 Sn2 Cl1'
_cell_volume   108.99
_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
  Sc  Sc0  1  0.28  0.8  0.19  1.0
  Sn  Sn1  1  0.0  0.69  0.8  1.0
  Sn  Sn2  1  0.28  0.59  0.34  1.0
  Cl  Cl3  1  0.0  0.77  0.4  1.0

Sc Sn Sn Cl
Sc Sn Sn Cl 0 2 o o o 0 1 o + + 0 1 o o + 1 3 o o o 1 1 + o o 1 1 o + o 1 2 o - o 2 3 o + o 