data_[Y12Tm16Sc8]
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 [C2/c]
_cell_length_a [16.7536]
_cell_length_b [9.7578]
_cell_length_c [6.6250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y3(Tm2Sc)2]
_chemical_formula_sum '[Y12 Tm16 Sc8]'
_cell_volume [1081.6944]
_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
[
  Y  Y0  8  0.1523  0.0449  0.7409  1.0
  Y  Y1  4  0.0000  0.4856  0.7500  1.0
  Tm  Tm2  8  0.0163  0.1805  0.0152  1.0
  Tm  Tm3  8  0.1884  0.3754  0.9114  1.0
  Sc  Sc4  8  0.1646  0.2887  0.3938  1.0
]