data_[Ba6Sn8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6917]
_cell_length_b [4.8234]
_cell_length_c [9.2342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(Sn2Rh)2]
_chemical_formula_sum '[Ba6 Sn8 Rh4]'
_cell_volume [553.3857]
_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
[
  Ba  Ba0  4  0.1010  0.5000  0.6924  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.1257  0.0000  0.3923  1.0
  Sn  Sn3  4  0.2162  0.5000  0.0870  1.0
  Rh  Rh4  4  0.2122  0.5000  0.3774  1.0
]