data_Sm4MgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   9.88
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4MgRh
_chemical_formula_sum   'Sm16 Mg4 Rh4'
_cell_volume   682.63
_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
  Sm  Sm8  1  0.12  0.49  0.49  1.0
  Sm  Sm9  1  0.49  0.12  0.49  1.0
  Sm  Sm10  1  0.49  0.49  0.12  1.0
  Sm  Sm11  1  0.34  0.63  0.34  1.0
  Sm  Sm12  1  0.34  0.34  0.63  1.0
  Sm  Sm13  1  0.63  0.34  0.34  1.0
  Sm  Sm14  1  0.99  0.39  0.99  1.0
  Sm  Sm15  1  0.39  0.99  0.99  1.0
  Sm  Sm16  1  0.99  0.99  0.39  1.0
  Sm  Sm17  1  0.49  0.49  0.87  1.0
  Sm  Sm18  1  0.87  0.49  0.49  1.0
  Sm  Sm19  1  0.49  0.87  0.49  1.0
  Sm  Sm20  1  0.99  0.59  0.99  1.0
  Sm  Sm21  1  0.99  0.99  0.59  1.0
  Sm  Sm22  1  0.59  0.99  0.99  1.0
  Sm  Sm23  1  0.63  0.63  0.63  1.0
  Mg  Mg0  1  0.37  0.37  0.37  1.0
  Mg  Mg1  1  0.59  0.59  0.37  1.0
  Mg  Mg2  1  0.37  0.59  0.59  1.0
  Mg  Mg3  1  0.59  0.37  0.59  1.0
  Rh  Rh4  1  0.47  0.47  0.51  1.0
  Rh  Rh5  1  0.51  0.47  0.47  1.0
  Rh  Rh6  1  0.47  0.51  0.47  1.0
  Rh  Rh7  1  0.51  0.51  0.51  1.0

data_Sm4MgRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   24.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sm4MgRh
_chemical_formula_sum   'Sm48 Mg12 Rh12'
_cell_volume   2047.89
_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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Sm  Sm0  9  0.07  0.53  0.54  1.0
  Sm  Sm1  9  0.09  0.54  0.05  1.0
  Sm  Sm2  9  0.1  0.19  0.56  1.0
  Sm  Sm3  9  0.2  0.4  0.81  1.0
  Sm  Sm4  9  0.21  0.42  0.3  1.0
  Sm  Sm5  3  0.0  0.0  0.37  1.0
  Mg  Mg6  9  0.14  0.07  0.48  1.0
  Mg  Mg7  3  0.0  0.0  0.63  1.0
  Rh  Rh8  9  0.01  0.03  0.51  1.0
  Rh  Rh9  3  0.0  0.0  0.49  1.0

Sm Sm Sm Sm Sm Sm Sm Sm Sm Sm Sm Sm Sm Sm Sm Sm Mg Mg Mg Mg Rh Rh Rh Rh