data_[Sn20Rh2S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [11.1201]
_cell_length_b [11.4560]
_cell_length_c [8.4584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Sn10RhS10]
_chemical_formula_sum '[Sn20 Rh2 S20]'
_cell_volume [1077.5306]
_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
[
  Sn  Sn0  8  0.1310  0.4102  0.2488  1
  Sn  Sn1  4  0.0000  0.0000  0.2375  1
  Sn  Sn2  4  0.1461  0.6819  0.0000  1
  Sn  Sn3  4  0.2345  0.6818  0.5000  1
  Rh  Rh4  2  0.0000  0.5000  0.0000  1
  S  S5  8  0.1790  0.1870  0.1978  1
  S  S6  4  0.0073  0.3289  0.5000  1
  S  S7  4  0.1355  0.9054  0.0000  1
  S  S8  4  0.2040  0.9490  0.5000  1
]