data_[Pr20Nd12Y4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4895]
_cell_length_b [8.4262]
_cell_length_c [14.1625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5Nd3Y]
_chemical_formula_sum '[Pr20 Nd12 Y4]'
_cell_volume [1366.8051]
_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  0.2233  0.2143  0.6675  1
  Pr  Pr1  4  0.0000  0.3248  0.0000  1
  Pr  Pr2  4  0.0125  0.5000  0.2580  1
  Pr  Pr3  4  0.2339  0.0000  0.8832  1
  Nd  Nd4  4  0.1440  0.5000  0.5062  1
  Nd  Nd5  4  0.2422  0.5000  0.8802  1
  Nd  Nd6  2  0.0000  0.0000  0.0000  1
  Nd  Nd7  2  0.0000  0.0000  0.5000  1
  Y  Y8  4  0.0318  0.0000  0.2491  1
]