data_PRhAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   3.1
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PRhAu2
_chemical_formula_sum   'P1 Rh1 Au2'
_cell_volume   65.33
_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
  P  P2  1  0.0  0.0  0.85  1.0
  Rh  Rh3  1  0.5  0.55  0.93  1.0
  Au  Au0  1  0.0  0.0  0.94  1.0
  Au  Au1  1  0.5  0.55  0.87  1.0

data_PRhAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.1
_cell_length_b   2.99
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   PRhAu2
_chemical_formula_sum   'P1 Rh1 Au2'
_cell_volume   65.33
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  P  P0  1  0.0  0.0  0.85  1.0
  Rh  Rh1  1  0.55  0.5  0.93  1.0
  Au  Au2  1  0.0  0.0  0.94  1.0
  Au  Au3  1  0.55  0.5  0.87  1.0

P Rh Au Au
P Rh Au Au 0 2 o o o 1 3 o o o 