data_Cu4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Rh
_chemical_formula_sum   'Cu16 Rh4'
_cell_volume   273.74
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.07  0.93  0.93  1.0
  Cu  Cu1  1  0.16  0.16  0.16  1.0
  Cu  Cu2  1  0.93  0.93  0.07  1.0
  Cu  Cu3  1  0.93  0.07  0.93  1.0
  Cu  Cu4  1  0.0  0.0  0.83  1.0
  Cu  Cu5  1  0.0  0.0  0.35  1.0
  Cu  Cu6  1  0.0  0.83  0.0  1.0
  Cu  Cu7  1  0.0  0.35  0.0  1.0
  Cu  Cu8  1  0.35  0.0  0.0  1.0
  Cu  Cu9  1  0.83  0.0  0.0  1.0
  Cu  Cu10  1  0.0  0.09  0.05  1.0
  Cu  Cu11  1  0.09  0.0  0.05  1.0
  Cu  Cu12  1  0.09  0.05  0.0  1.0
  Cu  Cu13  1  0.0  0.05  0.09  1.0
  Cu  Cu14  1  0.05  0.09  0.0  1.0
  Cu  Cu15  1  0.05  0.0  0.09  1.0
  Rh  Rh16  1  0.63  0.37  0.37  1.0
  Rh  Rh17  1  0.73  0.73  0.73  1.0
  Rh  Rh18  1  0.37  0.37  0.63  1.0
  Rh  Rh19  1  0.37  0.63  0.37  1.0

data_Cu4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   11.57
_cell_length_b   11.57
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cu4Rh
_chemical_formula_sum   'Cu48 Rh12'
_cell_volume   821.23
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Cu  Cu0  18  0.0  0.05  0.05  1.0
  Cu  Cu1  9  0.06  0.11  0.94  1.0
  Cu  Cu2  9  0.09  0.04  0.98  1.0
  Cu  Cu3  9  0.22  0.44  0.78  1.0
  Cu  Cu4  3  0.0  0.0  0.16  1.0
  Rh  Rh5  9  0.18  0.09  0.46  1.0
  Rh  Rh6  3  0.0  0.0  0.73  1.0

Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Cu Rh Rh Rh Rh