data_Sr4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.62
_cell_length_b   13.62
_cell_length_c   13.62
_cell_angle_alpha   161.71
_cell_angle_beta   161.71
_cell_angle_gamma   25.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4Au3
_chemical_formula_sum   'Sr4 Au3'
_cell_volume   249.07
_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  Sr3  1  0.0  0.0  0.42  1.0
  Sr  Sr4  1  0.0  0.0  0.13  1.0
  Sr  Sr5  1  0.0  0.0  0.02  1.0
  Sr  Sr6  1  0.0  0.0  0.53  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.14  1.0
  Au  Au2  1  0.0  0.0  0.41  1.0

data_Sr4Au3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   13.62
_cell_angle_alpha   90.0
_cell_angle_beta   102.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr4Au3
_chemical_formula_sum   'Sr8 Au6'
_cell_volume   498.15
_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  0.0  0.0  0.47  1.0
  Sr  Sr1  2  0.0  0.0  0.58  1.0
  Sr  Sr2  2  0.0  0.0  0.87  1.0
  Sr  Sr3  2  0.0  0.0  0.98  1.0
  Au  Au4  2  0.0  0.0  0.0  1.0
  Au  Au5  2  0.0  0.0  0.59  1.0
  Au  Au6  2  0.0  0.0  0.86  1.0

Sr Sr Sr Sr Au Au Au
Sr Sr Sr Sr Au Au Au 0 6 o o o 0 3 o o o 1 5 o o o 2 4 o o o 3 6 o o o 