data_[Pr6Tm2Sc2]
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 [8.7186]
_cell_length_b [3.6150]
_cell_length_c [10.7253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3TmSc]
_chemical_formula_sum '[Pr6 Tm2 Sc2]'
_cell_volume [324.7411]
_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  0.0465  0.7500  0.1541  1.0
  Pr  Pr1  2  0.1607  0.2500  0.4537  1.0
  Pr  Pr2  2  0.3512  0.2500  0.0559  1.0
  Tm  Tm3  2  0.2614  0.7500  0.7483  1.0
  Sc  Sc4  2  0.4565  0.7500  0.3591  1.0
]