data_Sr2SiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   137.31
_cell_angle_beta   137.31
_cell_angle_gamma   61.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SiAu
_chemical_formula_sum   'Sr2 Si1 Au1'
_cell_volume   111.14
_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  Sr2  1  0.28  0.0  0.68  1.0
  Sr  Sr3  1  0.0  0.0  0.36  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.28  0.68  1.0

data_Sr2SiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.25
_cell_angle_alpha   111.35
_cell_angle_beta   111.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SiAu
_chemical_formula_sum   'Sr2 Si1 Au1'
_cell_volume   111.14
_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  0.36  0.36  0.36  1.0
  Sr  Sr1  1  0.68  0.4  0.4  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.4  0.68  0.4  1.0

Sr Sr Si Au