data_YSc2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79
_cell_length_b   9.79
_cell_length_c   9.79
_cell_angle_alpha   20.57
_cell_angle_beta   20.57
_cell_angle_gamma   20.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Au
_chemical_formula_sum   'Y1 Sc2 Au1'
_cell_volume   101.23
_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  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.94  1.0
  Sc  Sc2  1  0.0  0.0  0.78  1.0
  Au  Au0  1  0.0  0.0  0.36  1.0

data_YSc2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   3.49
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   101.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSc2Au
_chemical_formula_sum   'Y2 Sc4 Au2'
_cell_volume   202.46
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Sc  Sc1  2  0.0  0.0  0.06  1.0
  Sc  Sc2  2  0.0  0.0  0.22  1.0
  Au  Au3  2  0.0  0.0  0.64  1.0

Y Sc Sc Au