data_AsRh2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38
_cell_length_b   8.38
_cell_length_c   8.38
_cell_angle_alpha   20.59
_cell_angle_beta   20.59
_cell_angle_gamma   20.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsRh2Au
_chemical_formula_sum   'As1 Rh2 Au1'
_cell_volume   63.61
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.18  1.0
  Rh  Rh3  1  0.0  0.0  0.4  1.0
  Au  Au1  1  0.0  0.0  0.29  1.0

data_AsRh2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   2.99
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   101.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsRh2Au
_chemical_formula_sum   'As2 Rh4 Au2'
_cell_volume   127.21
_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
  As  As0  2  0.0  0.0  0.0  1.0
  Rh  Rh1  2  -0.0  0.0  0.82  1.0
  Rh  Rh2  2  0.0  0.0  0.6  1.0
  Au  Au3  2  0.0  0.0  0.71  1.0

As Rh Rh Au
As Rh Rh Au 0 1 o o o 1 3 o o o 2 3 o o o 