data_[Pr12Sm24Sc4]
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 [Cmc2_1]
_cell_length_a [11.0250]
_cell_length_b [19.1869]
_cell_length_c [6.4138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3Sm6Sc]
_chemical_formula_sum '[Pr12 Sm24 Sc4]'
_cell_volume [1356.7458]
_cell_formula_units_Z [4]
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  8  0.1700  0.1155  0.9575  1
  Pr  Pr1  4  0.0000  0.3837  0.5746  1
  Sm  Sm2  8  0.1677  0.4567  0.0563  1
  Sm  Sm3  8  0.2417  0.7093  0.3698  1
  Sm  Sm4  4  0.0000  0.0411  0.3844  1
  Sm  Sm5  4  0.0000  0.2761  0.1404  1
  Sc  Sc6  4  0.0000  0.1971  0.6189  1
]