data_[Tm16Rh2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2243]
_cell_length_b [5.0629]
_cell_length_c [6.6962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8RhAu2]
_chemical_formula_sum '[Tm16 Rh2 Au4]'
_cell_volume [558.6246]
_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
[
  Tm  Tm0  4  0.0289  0.0000  0.7865  1.0
  Tm  Tm1  4  0.0905  0.5000  0.4386  1.0
  Tm  Tm2  4  0.1609  0.5000  0.9677  1.0
  Tm  Tm3  4  0.2016  0.0000  0.3123  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1863  0.0000  0.7209  1.0
]