data_[Y12Tm8Sc4]
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/m]
_cell_length_a [17.4539]
_cell_length_b [3.4244]
_cell_length_c [13.9591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Tm2Sc]
_chemical_formula_sum '[Y12 Tm8 Sc4]'
_cell_volume [740.6118]
_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  4  0.0373  0.0000  0.2199  1
  Y  Y1  4  0.1000  0.5000  0.0261  1
  Y  Y2  4  0.2441  0.5000  0.2952  1
  Tm  Tm3  4  0.1561  0.5000  0.4689  1
  Tm  Tm4  4  0.1803  0.0000  0.8801  1
  Sc  Sc5  4  0.0616  0.5000  0.6406  1
]