data_SrCoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   137.86
_cell_angle_beta   130.93
_cell_angle_gamma   66.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoAu2
_chemical_formula_sum   'Sr1 Co1 Au2'
_cell_volume   83.82
_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  0.29  0.19  1.0
  Co  Co2  1  0.0  0.0  0.39  1.0
  Au  Au0  1  0.0  0.0  0.07  1.0
  Au  Au1  1  0.98  0.0  0.58  1.0

data_SrCoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.58
_cell_length_c   5.52
_cell_angle_alpha   114.53
_cell_angle_beta   111.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoAu2
_chemical_formula_sum   'Sr1 Co1 Au2'
_cell_volume   83.82
_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  0.81  0.1  0.1  1.0
  Co  Co1  1  0.61  0.61  0.61  1.0
  Au  Au2  1  0.4  0.42  0.4  1.0
  Au  Au3  1  0.93  0.93  0.93  1.0

Sr Co Au Au