data_[Pr7Nd3Y2]
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 [P2/m]
_cell_length_a [6.0622]
_cell_length_b [3.6407]
_cell_length_c [19.5000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr7Nd3Y2]
_chemical_formula_sum '[Pr7 Nd3 Y2]'
_cell_volume [429.6346]
_cell_formula_units_Z [1]
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  2  0.1877  0.5000  0.1822  1.0
  Pr  Pr1  2  0.2546  0.5000  0.5353  1.0
  Pr  Pr2  2  0.3164  0.0000  0.8549  1.0
  Pr  Pr3  1  0.0000  0.0000  0.0000  1.0
  Nd  Nd4  2  0.2207  0.0000  0.3666  1.0
  Nd  Nd5  1  0.5000  0.5000  0.0000  1.0
  Y  Y6  2  0.2881  0.5000  0.7038  1.0
]