data_[Tm8Zr12Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [8.9766]
_cell_length_b [8.9766]
_cell_length_c [8.9766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Tm2Zr3Sc2]
_chemical_formula_sum '[Tm8 Zr12 Sc8]'
_cell_volume [723.3213]
_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  0.0868  0.4132  0.5868  1
  Zr  Zr1  12  0.0000  0.2500  0.9724  1
  Sc  Sc2  8  0.2229  0.2229  0.2229  1
]