data_[Pr24Tm8Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [16.2459]
_cell_length_b [11.9408]
_cell_length_c [6.2504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr6Tm2Sc]
_chemical_formula_sum '[Pr24 Tm8 Sc4]'
_cell_volume [1204.1625]
_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
[
  Pr  Pr0  8  0.0501  0.3588  0.5125  1.0
  Pr  Pr1  8  0.1110  0.1357  0.8241  1.0
  Pr  Pr2  8  0.2121  0.1402  0.3514  1.0
  Tm  Tm3  8  0.1697  0.3959  0.0770  1.0
  Sc  Sc4  4  0.0000  0.1087  0.2500  1.0
]