data_[Pr8Tm6Sc2]
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/m]
_cell_length_a [23.9166]
_cell_length_b [3.5993]
_cell_length_c [6.1997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4Tm3Sc]
_chemical_formula_sum '[Pr8 Tm6 Sc2]'
_cell_volume [515.7831]
_cell_formula_units_Z [2]
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  4  0.1212  0.5000  0.7873  1.0
  Pr  Pr1  4  0.2477  0.5000  0.2521  1.0
  Tm  Tm2  4  0.1194  0.0000  0.2839  1.0
  Tm  Tm3  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc4  2  0.0000  0.5000  0.0000  1.0
]