data_[Tm12Mg4Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.7851]
_cell_length_b [3.4411]
_cell_length_c [8.0314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3MgSc]
_chemical_formula_sum '[Tm12 Mg4 Sc4]'
_cell_volume [552.9071]
_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  4  0.0848  0.5000  0.0874  1
  Tm  Tm1  4  0.1137  0.5000  0.5187  1
  Tm  Tm2  4  0.1851  0.0000  0.8875  1
  Mg  Mg3  4  0.0171  0.0000  0.7200  1
  Sc  Sc4  4  0.2183  0.0000  0.3250  1
]