data_SrCoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.87
_cell_angle_alpha   112.39
_cell_angle_beta   112.39
_cell_angle_gamma   58.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoAu2
_chemical_formula_sum   'Sr1 Co1 Au2'
_cell_volume   92.2
_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  0.98  0.0  0.9  1.0
  Co  Co2  1  0.7  0.0  0.59  1.0
  Au  Au0  1  0.03  0.0  0.74  1.0
  Au  Au1  1  0.33  0.0  0.69  1.0

data_SrCoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.53
_cell_length_c   5.87
_cell_angle_alpha   112.39
_cell_angle_beta   90.0
_cell_angle_gamma   119.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoAu2
_chemical_formula_sum   'Sr1 Co1 Au2'
_cell_volume   92.2
_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  0.02  0.1  1.0
  Co  Co1  1  0.0  0.3  0.41  1.0
  Au  Au2  1  0.0  0.67  0.31  1.0
  Au  Au3  1  0.0  0.97  0.26  1.0

Sr Co Au Au