data_[Th4Sn8Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4915]
_cell_length_b [4.5113]
_cell_length_c [17.4341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Th4Sn8Rh]
_chemical_formula_sum '[Th4 Sn8 Rh1]'
_cell_volume [353.2561]
_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
[
  Th  Th0  1  0.0000  0.0000  0.0978  1
  Th  Th1  1  0.0000  0.5000  0.6088  1
  Th  Th2  1  0.5000  0.0000  0.8975  1
  Th  Th3  1  0.5000  0.5000  0.3922  1
  Sn  Sn4  1  0.0000  0.0000  0.4593  1
  Sn  Sn5  1  0.0000  0.0000  0.7534  1
  Sn  Sn6  1  0.0000  0.5000  0.2345  1
  Sn  Sn7  1  0.0000  0.5000  0.9355  1
  Sn  Sn8  1  0.5000  0.0000  0.2334  1
  Sn  Sn9  1  0.5000  0.0000  0.5691  1
  Sn  Sn10  1  0.5000  0.5000  0.0563  1
  Sn  Sn11  1  0.5000  0.5000  0.7527  1
  Rh  Rh12  1  0.0000  0.0000  0.3124  1
]