data_[Pr20Sm12Y4]
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 [C2/c]
_cell_length_a [16.7857]
_cell_length_b [6.8847]
_cell_length_c [11.8253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5Sm3Y]
_chemical_formula_sum '[Pr20 Sm12 Y4]'
_cell_volume [1279.7618]
_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  0.1088  0.4988  0.0495  1
  Pr  Pr1  8  0.1732  0.0945  0.3488  1
  Pr  Pr2  4  0.0000  0.3134  0.2500  1
  Sm  Sm3  8  0.2395  0.3992  0.8711  1
  Sm  Sm4  4  0.0000  0.0000  0.0000  1
  Y  Y5  4  0.0000  0.2371  0.7500  1
]