data_ScSn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   7.51
_cell_angle_alpha   155.03
_cell_angle_beta   145.63
_cell_angle_gamma   42.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Cl
_chemical_formula_sum   'Sc1 Sn2 Cl1'
_cell_volume   100.69
_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  0.0  0.0  0.99  1.0
  Sn  Sn2  1  0.62  0.0  0.23  1.0
  Sn  Sn3  1  0.0  0.22  0.76  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ScSn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.44
_cell_length_c   7.51
_cell_angle_alpha   107.19
_cell_angle_beta   102.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Cl
_chemical_formula_sum   'Sc1 Sn2 Cl1'
_cell_volume   100.69
_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  0.0  0.99  0.99  1.0
  Sn  Sn1  1  0.0  0.23  0.6  1.0
  Sn  Sn2  1  0.78  0.54  0.54  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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