data_[Tm16Ir4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8524]
_cell_length_b [12.8685]
_cell_length_c [6.1670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4IrRh]
_chemical_formula_sum '[Tm16 Ir4 Rh4]'
_cell_volume [581.0411]
_cell_formula_units_Z [4]
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  8  0.1335  0.1801  0.1021  1
  Tm  Tm1  8  0.1934  0.4387  0.2631  1
  Ir  Ir2  4  0.0000  0.3630  0.7500  1
  Rh  Rh3  4  0.0000  0.0005  0.7500  1
]