data_[Pr12Sm2Y8]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.9158]
_cell_length_b [6.9158]
_cell_length_c [16.4750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Pr6SmY4]
_chemical_formula_sum '[Pr12 Sm2 Y8]'
_cell_volume [787.9618]
_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  8  0.1916  0.1916  0.6775  1
  Pr  Pr1  4  0.0000  0.5000  0.0000  1
  Sm  Sm2  2  0.0000  0.0000  0.5000  1
  Y  Y3  8  0.1736  0.1736  0.8871  1
]