data_[Pr4Tm4Sc2]
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 [P2_1/m]
_cell_length_a [6.1735]
_cell_length_b [5.6545]
_cell_length_c [9.5480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2Tm2Sc]
_chemical_formula_sum '[Pr4 Tm4 Sc2]'
_cell_volume [315.7827]
_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  2  0.0635  0.7500  0.2867  1.0
  Pr  Pr1  2  0.3225  0.2500  0.4936  1.0
  Tm  Tm2  2  0.2775  0.7500  0.7150  1.0
  Tm  Tm3  2  0.4576  0.7500  0.0961  1.0
  Sc  Sc4  2  0.1293  0.2500  0.0904  1.0
]