data_[Ti4Sn2Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1850]
_cell_length_b [6.0376]
_cell_length_c [12.3451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti2SnRh6]
_chemical_formula_sum '[Ti4 Sn2 Rh12]'
_cell_volume [311.9290]
_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
[
  Ti  Ti0  4  0.0000  0.0000  0.3307  1
  Sn  Sn1  2  0.0000  0.0000  0.0000  1
  Rh  Rh2  8  0.0000  0.2613  0.8301  1
  Rh  Rh3  4  0.0000  0.2348  0.5000  1
]