data_[Tm4Al16Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.1003]
_cell_length_b [6.1003]
_cell_length_c [11.1839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tm4Al16Rh3]
_chemical_formula_sum '[Tm4 Al16 Rh3]'
_cell_volume [416.1945]
_cell_formula_units_Z [1]
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
[
  Tm  Tm0  4  0.0000  0.5000  0.1904  1
  Al  Al1  8  0.2494  0.2494  0.3799  1
  Al  Al2  4  0.2828  0.2828  0.0000  1
  Al  Al3  2  0.0000  0.0000  0.2204  1
  Al  Al4  2  0.5000  0.5000  0.1945  1
  Rh  Rh5  2  0.0000  0.5000  0.5000  1
  Rh  Rh6  1  0.0000  0.0000  0.0000  1
]