data_Sr2FeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   134.9
_cell_angle_beta   134.9
_cell_angle_gamma   65.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2FeAu
_chemical_formula_sum   'Sr2 Fe1 Au1'
_cell_volume   100.56
_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  0.26  0.0  0.47  1.0
  Sr  Sr3  1  0.0  0.0  0.94  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.26  0.47  1.0

data_Sr2FeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.88
_cell_angle_alpha   112.55
_cell_angle_beta   112.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2FeAu
_chemical_formula_sum   'Sr2 Fe1 Au1'
_cell_volume   100.56
_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  0.06  0.0  0.06  1.0
  Sr  Sr1  1  0.53  0.0  0.78  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.78  0.26  0.78  1.0

Sr Sr Fe Au
Sr Sr Fe Au 0 3 o o o 1 2 o o + 