data_Hg5Rh24
_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   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5Rh24
_chemical_formula_sum   'Hg5 Rh24'
_cell_volume   452.36
_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
  Hg  Hg0  1  0.05  0.95  0.05  1.0
  Hg  Hg1  1  0.95  0.05  0.05  1.0
  Hg  Hg2  1  0.05  0.05  0.95  1.0
  Hg  Hg3  1  0.78  0.78  0.78  1.0
  Hg  Hg4  1  0.0  0.0  0.0  1.0
  Rh  Rh5  1  0.9  0.1  0.73  1.0
  Rh  Rh6  1  0.1  0.9  0.73  1.0
  Rh  Rh7  1  0.9  0.9  0.94  1.0
  Rh  Rh8  1  0.94  0.94  0.11  1.0
  Rh  Rh9  1  0.9  0.94  0.9  1.0
  Rh  Rh10  1  0.94  0.11  0.94  1.0
  Rh  Rh11  1  0.1  0.73  0.9  1.0
  Rh  Rh12  1  0.9  0.73  0.1  1.0
  Rh  Rh13  1  0.73  0.1  0.9  1.0
  Rh  Rh14  1  0.73  0.9  0.1  1.0
  Rh  Rh15  1  0.11  0.94  0.94  1.0
  Rh  Rh16  1  0.94  0.9  0.9  1.0
  Rh  Rh17  1  0.69  0.31  0.2  1.0
  Rh  Rh18  1  0.31  0.69  0.2  1.0
  Rh  Rh19  1  0.53  0.53  0.63  1.0
  Rh  Rh20  1  0.31  0.31  0.47  1.0
  Rh  Rh21  1  0.53  0.63  0.53  1.0
  Rh  Rh22  1  0.31  0.47  0.31  1.0
  Rh  Rh23  1  0.31  0.2  0.69  1.0
  Rh  Rh24  1  0.69  0.2  0.31  1.0
  Rh  Rh25  1  0.2  0.31  0.69  1.0
  Rh  Rh26  1  0.2  0.69  0.31  1.0
  Rh  Rh27  1  0.47  0.31  0.31  1.0
  Rh  Rh28  1  0.63  0.53  0.53  1.0

data_Hg5Rh24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.68
_cell_length_b   13.68
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hg5Rh24
_chemical_formula_sum   'Hg15 Rh72'
_cell_volume   1357.08
_cell_formula_units_Z   3
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
  Hg  Hg0  9  0.04  0.07  0.02  1.0
  Hg  Hg1  3  0.0  0.0  0.0  1.0
  Hg  Hg2  3  0.0  0.0  0.78  1.0
  Rh  Rh3  18  0.13  0.37  0.07  1.0
  Rh  Rh4  18  0.15  0.47  0.58  1.0
  Rh  Rh5  9  0.03  0.02  0.91  1.0
  Rh  Rh6  9  0.07  0.03  0.56  1.0
  Rh  Rh7  9  0.11  0.05  0.36  1.0
  Rh  Rh8  9  0.11  0.06  1.0  1.0

Hg Hg Hg Hg Hg Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh