data_[Pr12Nd4Y8]
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/c]
_cell_length_a [18.1947]
_cell_length_b [7.3980]
_cell_length_c [6.4028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3NdY2]
_chemical_formula_sum '[Pr12 Nd4 Y8]'
_cell_volume [838.1030]
_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  0.1672  0.1253  0.0266  1.0
  Pr  Pr1  4  0.0000  0.1286  0.2500  1.0
  Nd  Nd2  4  0.0000  0.3770  0.7500  1.0
  Y  Y3  8  0.1670  0.3763  0.5285  1.0
]