data_ScTiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   9.54
_cell_angle_alpha   19.87
_cell_angle_beta   19.87
_cell_angle_gamma   19.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiSn2
_chemical_formula_sum   'Sc1 Ti1 Sn2'
_cell_volume   87.9
_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  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.03  1.0
  Sn  Sn1  1  0.0  0.0  0.9  1.0
  Sn  Sn2  1  0.0  0.0  0.16  1.0

data_ScTiSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   3.29
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   101.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTiSn2
_chemical_formula_sum   'Sc2 Ti2 Sn4'
_cell_volume   175.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ti  Ti1  2  0.0  0.0  0.97  1.0
  Sn  Sn2  2  0.0  0.0  0.1  1.0
  Sn  Sn3  2  0.0  0.0  0.84  1.0

Sc Ti Sn Sn
Sc Ti Sn Sn 0 1 o o o 0 2 o o - 1 3 o o o 