data_SrB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   43.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrB2Au
_chemical_formula_sum   'Sr1 B2 Au1'
_cell_volume   68.01
_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  0.0  0.77  1.0
  B  B1  1  0.0  0.0  0.92  1.0
  B  B2  1  0.63  0.0  0.84  1.0
  Au  Au0  1  0.63  0.0  0.77  1.0

data_SrB2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.11
_cell_length_c   5.49
_cell_angle_alpha   111.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrB2Au
_chemical_formula_sum   'Sr1 B2 Au1'
_cell_volume   68.01
_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  0.77  0.77  1.0
  B  B1  1  0.0  0.92  0.92  1.0
  B  B2  1  0.37  0.84  0.84  1.0
  Au  Au3  1  0.37  0.77  0.77  1.0

Sr B B Au