data_Sr5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58
_cell_length_b   7.58
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Au
_chemical_formula_sum   'Sr5 Au1'
_cell_volume   347.27
_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  0.79  0.19  0.0  1.0
  Sr  Sr2  1  0.0  0.38  0.0  1.0
  Sr  Sr3  1  0.1  0.28  0.49  1.0
  Sr  Sr4  1  0.9  0.28  0.49  1.0
  Sr  Sr5  1  0.79  0.0  0.49  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Sr5Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.98
_cell_length_b   7.58
_cell_length_c   7.58
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Au
_chemical_formula_sum   'Sr5 Au1'
_cell_volume   347.27
_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  Sr0  1  -0.0  0.79  0.19  1.0
  Sr  Sr1  1  -0.0  0.0  0.38  1.0
  Sr  Sr2  1  0.49  0.1  0.28  1.0
  Sr  Sr3  1  0.49  0.79  0.0  1.0
  Sr  Sr4  1  0.49  0.9  0.28  1.0
  Au  Au5  1  0.0  0.0  0.0  1.0

Sr Sr Sr Sr Sr Au