data_[Tm4Zr8Sc8]
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 [Pnma]
_cell_length_a [6.5388]
_cell_length_b [5.1095]
_cell_length_c [14.7452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tm(ZrSc)2]
_chemical_formula_sum '[Tm4 Zr8 Sc8]'
_cell_volume [492.6331]
_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  0.1330  0.7500  0.5408  1.0
  Zr  Zr1  4  0.1196  0.2500  0.8462  1.0
  Zr  Zr2  4  0.1270  0.2500  0.2516  1.0
  Sc  Sc3  4  0.1171  0.7500  0.9542  1.0
  Sc  Sc4  4  0.1251  0.2500  0.6595  1.0
]