data_[Tm2Zr8Sc8]
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 [C2/m]
_cell_length_a [9.9540]
_cell_length_b [4.8013]
_cell_length_c [9.2860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(ZrSc)4]
_chemical_formula_sum '[Tm2 Zr8 Sc8]'
_cell_volume [440.5108]
_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  2  0.0000  0.0000  0.0000  1
  Zr  Zr1  4  0.1908  0.5000  0.8961  1
  Zr  Zr2  4  0.2171  0.5000  0.5751  1
  Sc  Sc3  4  0.0511  0.0000  0.6624  1
  Sc  Sc4  4  0.1373  0.5000  0.2327  1
]