data_YSc2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   135.44
_cell_angle_beta   135.44
_cell_angle_gamma   64.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Si
_chemical_formula_sum   'Y1 Sc2 Si1'
_cell_volume   88.14
_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  0.15  0.0  0.39  1.0
  Sc  Sc0  1  0.0  0.0  0.78  1.0
  Sc  Sc1  1  0.0  0.15  0.39  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_YSc2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.66
_cell_angle_alpha   112.28
_cell_angle_beta   112.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Si
_chemical_formula_sum   'Y1 Sc2 Si1'
_cell_volume   88.14
_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  0.61  0.0  0.76  1.0
  Sc  Sc1  1  0.22  0.0  0.22  1.0
  Sc  Sc2  1  0.76  0.15  0.76  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Y Sc Sc Si