data_YScSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.93
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScSi2
_chemical_formula_sum   'Y1 Sc1 Si2'
_cell_volume   78.07
_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  0.96  0.0  0.12  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.57  0.96  0.3  1.0
  Si  Si2  1  0.52  0.96  0.95  1.0

data_YScSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.93
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScSi2
_chemical_formula_sum   'Y1 Sc1 Si2'
_cell_volume   78.07
_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  0.96  0.0  0.12  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.52  0.96  0.95  1.0
  Si  Si3  1  0.57  0.96  0.3  1.0

Y Sc Si Si