data_SrMo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   5.42
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   93.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2Au
_chemical_formula_sum   'Sr1 Mo2 Au1'
_cell_volume   82.95
_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  0.0  1.0
  Mo  Mo1  1  0.83  0.71  0.21  1.0
  Mo  Mo2  1  0.97  0.71  0.76  1.0
  Au  Au0  1  0.4  0.0  0.49  1.0

data_SrMo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.98
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2Au
_chemical_formula_sum   'Sr1 Mo2 Au1'
_cell_volume   82.95
_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  0.03  0.24  0.29  1.0
  Mo  Mo2  1  0.17  0.79  0.29  1.0
  Au  Au3  1  0.6  0.51  0.0  1.0

Sr Mo Mo Au
Sr Mo Mo Au 0 2 - - - 0 1 - - o 0 3 o o o 0 3 o o - 0 3 - o o 0 3 - o - 1 3 o + o 1 3 + + o 1 2 o o - 2 3 + + o 2 3 o + o 3 3 + o o 