data_Y5Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   7.16
_cell_angle_alpha   96.3
_cell_angle_beta   96.3
_cell_angle_gamma   141.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Au4
_chemical_formula_sum   'Y5 Au4'
_cell_volume   216.7
_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  Y4  1  0.0  0.0  0.0  1.0
  Y  Y5  1  0.11  0.11  0.0  1.0
  Y  Y6  1  0.33  0.67  0.37  1.0
  Y  Y7  1  0.67  0.33  0.37  1.0
  Y  Y8  1  0.67  0.67  0.37  1.0
  Au  Au0  1  0.0  0.07  0.0  1.0
  Au  Au1  1  0.0  0.49  0.0  1.0
  Au  Au2  1  0.07  0.0  0.0  1.0
  Au  Au3  1  0.49  0.0  0.0  1.0

data_Y5Au4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   13.52
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   109.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y5Au4
_chemical_formula_sum   'Y10 Au8'
_cell_volume   433.39
_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  4  0.0  0.33  0.63  1.0
  Y  Y1  2  0.0  0.0  0.0  1.0
  Y  Y2  2  0.33  0.0  0.63  1.0
  Y  Y3  2  0.39  0.5  0.0  1.0
  Au  Au4  4  0.25  0.25  0.0  1.0
  Au  Au5  4  0.47  0.47  0.0  1.0

Y Y Y Y Y Au Au Au Au