data_Sn3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   16.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Rh
_chemical_formula_sum   'Sn18 Rh6'
_cell_volume   554.57
_cell_formula_units_Z   6
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
  Sn  Sn6  1  0.0  0.41  0.05  1.0
  Sn  Sn7  1  0.46  0.74  0.05  1.0
  Sn  Sn8  1  0.54  0.74  0.05  1.0
  Sn  Sn9  1  0.14  0.04  0.14  1.0
  Sn  Sn10  1  0.69  0.71  0.14  1.0
  Sn  Sn11  1  0.6  0.71  0.14  1.0
  Sn  Sn12  1  0.14  0.65  0.7  1.0
  Sn  Sn13  1  0.55  0.9  0.7  1.0
  Sn  Sn14  1  0.74  0.9  0.7  1.0
  Sn  Sn15  1  0.14  0.65  0.4  1.0
  Sn  Sn16  1  0.55  0.9  0.4  1.0
  Sn  Sn17  1  0.74  0.9  0.4  1.0
  Sn  Sn18  1  0.0  0.79  0.49  1.0
  Sn  Sn19  1  0.59  0.55  0.49  1.0
  Sn  Sn20  1  0.41  0.55  0.49  1.0
  Sn  Sn21  1  0.0  0.79  0.79  1.0
  Sn  Sn22  1  0.59  0.55  0.79  1.0
  Sn  Sn23  1  0.41  0.55  0.79  1.0
  Rh  Rh0  1  0.0  0.0  0.05  1.0
  Rh  Rh1  1  0.0  0.0  0.14  1.0
  Rh  Rh2  1  0.14  0.82  0.24  1.0
  Rh  Rh3  1  0.14  0.82  0.04  1.0
  Rh  Rh4  1  0.0  0.63  0.15  1.0
  Rh  Rh5  1  0.0  0.63  0.95  1.0

data_Sn3Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   16.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Rh
_chemical_formula_sum   'Sn18 Rh6'
_cell_volume   554.57
_cell_formula_units_Z   6
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
  Sn  Sn0  1  0.0  0.41  0.05  1.0
  Sn  Sn1  1  0.0  0.79  0.49  1.0
  Sn  Sn2  1  0.0  0.79  0.79  1.0
  Sn  Sn3  1  0.14  0.04  0.14  1.0
  Sn  Sn4  1  0.14  0.65  0.4  1.0
  Sn  Sn5  1  0.14  0.65  0.7  1.0
  Sn  Sn6  1  0.41  0.55  0.49  1.0
  Sn  Sn7  1  0.41  0.55  0.79  1.0
  Sn  Sn8  1  0.46  0.74  0.05  1.0
  Sn  Sn9  1  0.54  0.74  0.05  1.0
  Sn  Sn10  1  0.55  0.9  0.4  1.0
  Sn  Sn11  1  0.55  0.9  0.7  1.0
  Sn  Sn12  1  0.59  0.55  0.49  1.0
  Sn  Sn13  1  0.59  0.55  0.79  1.0
  Sn  Sn14  1  0.6  0.71  0.14  1.0
  Sn  Sn15  1  0.69  0.71  0.14  1.0
  Sn  Sn16  1  0.74  0.9  0.4  1.0
  Sn  Sn17  1  0.74  0.9  0.7  1.0
  Rh  Rh18  1  0.0  0.0  0.05  1.0
  Rh  Rh19  1  0.0  0.0  0.14  1.0
  Rh  Rh20  1  0.0  0.63  0.15  1.0
  Rh  Rh21  1  0.0  0.63  0.95  1.0
  Rh  Rh22  1  0.14  0.82  0.04  1.0
  Rh  Rh23  1  0.14  0.82  0.24  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Rh Rh Rh Rh Rh Rh