data_[Sn12Ir2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5950]
_cell_length_b [6.7795]
_cell_length_c [9.4252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sn6IrRh2]
_chemical_formula_sum '[Sn12 Ir2 Rh4]'
_cell_volume [397.7178]
_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  4  0.1045  0.1803  0.4109  1
  Sn  Sn1  4  0.2150  0.6918  0.4174  1
  Sn  Sn2  4  0.4026  0.0472  0.2030  1
  Ir  Ir3  2  0.5000  0.0000  0.5000  1
  Rh  Rh4  4  0.2032  0.1054  0.7052  1
]