data_SrYAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   7.21
_cell_angle_alpha   149.71
_cell_angle_beta   149.71
_cell_angle_gamma   43.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYAu
_chemical_formula_sum   'Sr1 Y1 Au1'
_cell_volume   94.98
_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
  Sr  Sr1  1  0.0  0.0  0.76  1.0
  Y  Y2  1  0.0  0.0  0.35  1.0
  Au  Au0  1  0.0  0.0  0.28  1.0

data_SrYAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   111.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrYAu
_chemical_formula_sum   'Sr2 Y2 Au2'
_cell_volume   189.96
_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
  Sr  Sr0  2  0.26  0.5  0.76  1.0
  Y  Y1  2  0.35  0.0  0.35  1.0
  Au  Au2  2  0.28  0.0  0.28  1.0

Sr Y Au
Sr Y Au 0 1 o + + 0 1 + o + 0 1 o o o 0 0 + o + 0 0 o + + 0 2 o o o 0 2 o o + 1 2 o o o 