data_[Tm12Sc4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3142]
_cell_length_b [8.5017]
_cell_length_c [7.7951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.2905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3ScRh]
_chemical_formula_sum '[Tm12 Sc4 Rh4]'
_cell_volume [545.7795]
_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  0.2377  0.1964  0.2010  1.0
  Tm  Tm1  4  0.0526  0.5000  0.2678  1.0
  Sc  Sc2  4  0.0536  0.0000  0.3535  1.0
  Rh  Rh3  4  0.2446  0.0000  0.8681  1.0
]