data_YSi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   41.05
_cell_angle_beta   41.05
_cell_angle_gamma   41.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSi2Au
_chemical_formula_sum   'Y1 Si2 Au1'
_cell_volume   76.53
_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
  Si  Si1  1  0.0  0.0  0.62  1.0
  Si  Si2  1  0.0  0.0  0.32  1.0
  Au  Au0  1  0.0  0.0  0.97  1.0

data_YSi2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.06
_cell_length_b   4.08
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   113.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YSi2Au
_chemical_formula_sum   'Y2 Si4 Au2'
_cell_volume   153.06
_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
  Si  Si1  2  -0.0  0.0  0.68  1.0
  Si  Si2  2  -0.0  0.0  0.38  1.0
  Au  Au3  2  -0.0  0.0  0.03  1.0

Y Si Si Au
Y Si Si Au 0 3 o o - 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o - 