data_[Y24Tm4Sc12]
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 [21.4161]
_cell_length_b [3.5490]
_cell_length_c [16.4732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6TmSc3]
_chemical_formula_sum '[Y24 Tm4 Sc12]'
_cell_volume [1196.9013]
_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  0.0175  0.5000  0.3655  1
  Y  Y1  4  0.0826  0.0000  0.0416  1
  Y  Y2  4  0.1147  0.0000  0.2543  1
  Y  Y3  4  0.1161  0.0000  0.7579  1
  Y  Y4  4  0.1819  0.5000  0.4421  1
  Y  Y5  4  0.1847  0.5000  0.9407  1
  Tm  Tm6  4  0.2158  0.5000  0.6601  1
  Sc  Sc7  4  0.0168  0.5000  0.8587  1
  Sc  Sc8  4  0.0848  0.0000  0.5444  1
  Sc  Sc9  4  0.2169  0.5000  0.1591  1
]