data_[Pr6Sm8Sc2]
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 [Pmn2_1]
_cell_length_a [11.8248]
_cell_length_b [7.2802]
_cell_length_c [6.3218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3Sm4Sc]
_chemical_formula_sum '[Pr6 Sm8 Sc2]'
_cell_volume [544.2268]
_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  0.2490  0.3784  0.0235  1.0
  Pr  Pr1  2  0.0000  0.3745  0.3508  1.0
  Sm  Sm2  4  0.2439  0.8733  0.0147  1.0
  Sm  Sm3  2  0.0000  0.1244  0.8474  1.0
  Sm  Sm4  2  0.0000  0.8742  0.3558  1.0
  Sc  Sc5  2  0.0000  0.6278  0.8546  1.0
]