data_ScSn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.68
_cell_angle_alpha   109.55
_cell_angle_beta   109.55
_cell_angle_gamma   31.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Cl
_chemical_formula_sum   'Sc1 Sn2 Cl1'
_cell_volume   99.51
_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  0.33  0.0  0.38  1.0
  Sn  Sn2  1  0.27  0.0  0.19  1.0
  Sn  Sn3  1  0.37  0.0  0.05  1.0
  Cl  Cl0  1  0.28  0.0  0.38  1.0

data_ScSn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.68
_cell_length_c   5.96
_cell_angle_alpha   109.55
_cell_angle_beta   105.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Cl
_chemical_formula_sum   'Sc1 Sn2 Cl1'
_cell_volume   99.51
_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  0.38  0.33  1.0
  Sn  Sn1  1  0.0  0.05  0.37  1.0
  Sn  Sn2  1  0.0  0.19  0.27  1.0
  Cl  Cl3  1  0.0  0.38  0.28  1.0

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