data_[Pr4Sm20Y12]
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/m]
_cell_length_a [17.0042]
_cell_length_b [8.1622]
_cell_length_c [12.4522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.9471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSm5Y3]
_chemical_formula_sum '[Pr4 Sm20 Y12]'
_cell_volume [1305.3814]
_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  4  0.2379  0.0000  0.1307  1
  Sm  Sm1  8  0.0635  0.2032  0.7774  1
  Sm  Sm2  4  0.0000  0.3184  0.0000  1
  Sm  Sm3  4  0.1293  0.0000  0.5707  1
  Sm  Sm4  4  0.1969  0.5000  0.0673  1
  Y  Y5  4  0.1147  0.5000  0.3137  1
  Y  Y6  4  0.1777  0.0000  0.3430  1
  Y  Y7  2  0.0000  0.0000  0.0000  1
  Y  Y8  2  0.0000  0.5000  0.5000  1
]