data_[Y18Tm24Sc3]
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 [R-3]
_cell_length_a [8.9428]
_cell_length_b [8.9428]
_cell_length_c [20.3214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Y6Tm8Sc]
_chemical_formula_sum '[Y18 Tm24 Sc3]'
_cell_volume [1407.4332]
_cell_formula_units_Z [3]
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  18  0.0783  0.8256  0.7080  1
  Tm  Tm1  18  0.0826  0.5311  0.8087  1
  Tm  Tm2  6  0.0000  0.0000  0.4241  1
  Sc  Sc3  3  0.0000  0.0000  0.0000  1
]