data_[Ta6Rh16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1117]
_cell_length_b [10.6378]
_cell_length_c [4.7153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta3Rh8]
_chemical_formula_sum '[Ta6 Rh16]'
_cell_volume [345.7604]
_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
[
  Ta  Ta0  4  0.2500  0.2500  0.5000  1
  Ta  Ta1  2  0.0000  0.5000  0.5000  1
  Rh  Rh2  8  0.1390  0.1390  0.9193  1
  Rh  Rh3  4  0.0000  0.3763  0.0000  1
  Rh  Rh4  4  0.1764  0.0000  0.4735  1
]