data_YScSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   3.4
_cell_angle_alpha   90.79
_cell_angle_beta   90.79
_cell_angle_gamma   104.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScSn2
_chemical_formula_sum   'Y1 Sc1 Sn2'
_cell_volume   100.21
_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
  Y  Y3  1  0.37  0.0  0.0  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.65  0.19  0.7  1.0
  Sn  Sn2  1  0.65  0.81  0.7  1.0

data_YScSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   104.77
_cell_angle_beta   90.79
_cell_angle_gamma   90.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScSn2
_chemical_formula_sum   'Y1 Sc1 Sn2'
_cell_volume   100.21
_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
  Y  Y0  1  0.0  0.37  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.7  0.65  0.19  1.0
  Sn  Sn3  1  0.7  0.65  0.81  1.0

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