data_[Tm10Zr2Sc8]
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 [I4]
_cell_length_a [9.6287]
_cell_length_b [9.6287]
_cell_length_c [5.9825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Tm5ZrSc4]
_chemical_formula_sum '[Tm10 Zr2 Sc8]'
_cell_volume [554.6480]
_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  8  0.1433  0.2346  0.0407  1
  Tm  Tm1  2  0.0000  0.0000  0.3356  1
  Zr  Zr2  2  0.0000  0.0000  0.7862  1
  Sc  Sc3  8  0.0479  0.3490  0.5513  1
]