data_[Pr7Sm2Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5751]
_cell_length_b [6.7315]
_cell_length_c [8.6575]
_cell_angle_alpha [98.2134]
_cell_angle_beta [94.1938]
_cell_angle_gamma [97.4620]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr7(SmSc)2]
_chemical_formula_sum '[Pr7 Sm2 Sc2]'
_cell_volume [374.3958]
_cell_formula_units_Z [1]
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  0.0588  0.3707  0.3301  1
  Pr  Pr1  2  0.3609  0.3114  0.6504  1
  Pr  Pr2  2  0.4747  0.8589  0.7743  1
  Pr  Pr3  1  0.0000  0.0000  0.0000  1
  Sm  Sm4  2  0.2624  0.5692  0.0368  1
  Sc  Sc5  2  0.1622  0.8855  0.3916  1
]