data_SrMoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMoAu
_chemical_formula_sum   'Sr1 Mo1 Au1'
_cell_volume   78.06
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.68  0.1  1.0
  Au  Au0  1  0.32  0.34  0.1  1.0

data_SrMoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMoAu
_chemical_formula_sum   'Sr1 Mo1 Au1'
_cell_volume   78.06
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.1  0.0  0.68  1.0
  Au  Au2  1  0.1  0.32  0.34  1.0

Sr Mo Au
Sr Mo Au 0 1 o - o 0 2 o o o 