data_[Y16Tm10Sc2]
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 [I-4]
_cell_length_a [9.4837]
_cell_length_b [9.4837]
_cell_length_c [9.9933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Y8Tm5Sc]
_chemical_formula_sum '[Y16 Tm10 Sc2]'
_cell_volume [898.8110]
_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  0.0693  0.6762  0.4077  1
  Y  Y1  8  0.0856  0.8195  0.7467  1
  Tm  Tm2  8  0.1069  0.7908  0.0760  1
  Tm  Tm3  2  0.0000  0.0000  0.5000  1
  Sc  Sc4  2  0.0000  0.5000  0.7500  1
]