data_Ce3Sn13Rh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78
_cell_length_b   9.78
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3Sn13Rh4
_chemical_formula_sum   'Ce6 Sn26 Rh8'
_cell_volume   936.51
_cell_formula_units_Z   2
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
  Ce  Ce0  1  0.0  0.89  0.45  1.0
  Ce  Ce1  1  0.89  0.34  0.0  1.0
  Ce  Ce2  1  0.45  0.0  0.89  1.0
  Ce  Ce3  1  0.0  0.89  0.34  1.0
  Ce  Ce4  1  0.89  0.45  0.0  1.0
  Ce  Ce5  1  0.34  0.0  0.89  1.0
  Sn  Sn6  1  0.0  0.0  0.0  1.0
  Sn  Sn7  1  0.89  0.89  0.89  1.0
  Sn  Sn8  1  0.48  0.77  0.0  1.0
  Sn  Sn9  1  0.02  0.0  0.48  1.0
  Sn  Sn10  1  0.0  0.3  0.02  1.0
  Sn  Sn11  1  0.3  0.02  0.0  1.0
  Sn  Sn12  1  0.77  0.0  0.3  1.0
  Sn  Sn13  1  0.0  0.48  0.77  1.0
  Sn  Sn14  1  0.48  0.02  0.0  1.0
  Sn  Sn15  1  0.02  0.0  0.3  1.0
  Sn  Sn16  1  0.3  0.77  0.0  1.0
  Sn  Sn17  1  0.77  0.0  0.48  1.0
  Sn  Sn18  1  0.0  0.48  0.02  1.0
  Sn  Sn19  1  0.0  0.3  0.77  1.0
  Sn  Sn20  1  0.38  0.89  0.88  1.0
  Sn  Sn21  1  0.91  0.38  0.89  1.0
  Sn  Sn22  1  0.89  0.91  0.41  1.0
  Sn  Sn23  1  0.41  0.89  0.91  1.0
  Sn  Sn24  1  0.88  0.41  0.89  1.0
  Sn  Sn25  1  0.89  0.88  0.38  1.0
  Sn  Sn26  1  0.38  0.89  0.91  1.0
  Sn  Sn27  1  0.91  0.41  0.89  1.0
  Sn  Sn28  1  0.41  0.89  0.88  1.0
  Sn  Sn29  1  0.88  0.38  0.89  1.0
  Sn  Sn30  1  0.89  0.91  0.38  1.0
  Sn  Sn31  1  0.89  0.88  0.41  1.0
  Rh  Rh32  1  0.45  0.34  0.45  1.0
  Rh  Rh33  1  0.34  0.45  0.34  1.0
  Rh  Rh34  1  0.45  0.45  0.34  1.0
  Rh  Rh35  1  0.34  0.34  0.45  1.0
  Rh  Rh36  1  0.34  0.45  0.45  1.0
  Rh  Rh37  1  0.45  0.34  0.34  1.0
  Rh  Rh38  1  0.34  0.34  0.34  1.0
  Rh  Rh39  1  0.45  0.45  0.45  1.0

data_Ce3Sn13Rh4
_symmetry_space_group_name_H-M   R3
_cell_length_a   13.84
_cell_length_b   13.84
_cell_length_c   16.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ce3Sn13Rh4
_chemical_formula_sum   'Ce18 Sn78 Rh24'
_cell_volume   2809.52
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  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'
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
  Ce  Ce0  9  0.0  0.55  0.45  1.0
  Ce  Ce1  9  0.15  0.74  0.74  1.0
  Sn  Sn2  9  0.01  0.49  0.4  1.0
  Sn  Sn3  9  0.02  0.52  0.39  1.0
  Sn  Sn4  9  0.02  0.27  0.75  1.0
  Sn  Sn5  9  0.08  0.39  0.69  1.0
  Sn  Sn6  9  0.16  0.82  0.71  1.0
  Sn  Sn7  9  0.17  0.82  0.83  1.0
  Sn  Sn8  9  0.17  0.35  0.73  1.0
  Sn  Sn9  9  0.19  0.11  0.11  1.0
  Sn  Sn10  3  0.0  0.0  0.0  1.0
  Sn  Sn11  3  0.0  0.0  0.89  1.0
  Rh  Rh12  9  0.04  0.96  0.41  1.0
  Rh  Rh13  9  0.07  0.04  0.37  1.0
  Rh  Rh14  3  0.0  0.0  0.34  1.0
  Rh  Rh15  3  0.0  0.0  0.45  1.0

Ce Ce Ce Ce Ce Ce Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Rh Rh Rh Rh Rh Rh Rh Rh