data_MoRhAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56
_cell_length_b   9.56
_cell_length_c   9.56
_cell_angle_alpha   17.08
_cell_angle_beta   17.08
_cell_angle_gamma   17.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRhAu2
_chemical_formula_sum   'Mo1 Rh1 Au2'
_cell_volume   65.67
_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
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.12  1.0
  Au  Au0  1  0.0  0.0  0.06  1.0
  Au  Au1  1  0.0  0.0  0.19  1.0

data_MoRhAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   2.84
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoRhAu2
_chemical_formula_sum   'Mo2 Rh2 Au4'
_cell_volume   131.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mo  Mo0  2  0.0  0.0  0.0  1.0
  Rh  Rh1  2  0.0  0.0  0.88  1.0
  Au  Au2  2  0.0  0.0  0.81  1.0
  Au  Au3  2  0.0  0.0  0.94  1.0

Mo Rh Au Au
Mo Rh Au Au 0 2 o o o 1 2 o o o 1 3 o o o 