data_[Y8Tm2Sc10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [10.2060]
_cell_length_b [10.2060]
_cell_length_c [5.5893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Y4TmSc5]
_chemical_formula_sum '[Y8 Tm2 Sc10]'
_cell_volume [582.1938]
_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
[
  Y  Y0  8  0.0000  0.3181  0.4573  1
  Tm  Tm1  2  0.0000  0.0000  0.2125  1
  Sc  Sc2  8  0.1891  0.1891  0.9435  1
  Sc  Sc3  2  0.0000  0.0000  0.6947  1
]