data_[Pr3Nd1]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6937]
_cell_length_b [6.1048]
_cell_length_c [6.4522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr3Nd]
_chemical_formula_sum '[Pr3 Nd1]'
_cell_volume [145.4923]
_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  1  0.0000  0.5000  0.3293  1.0
  Pr  Pr1  1  0.5000  0.0000  0.5039  1.0
  Pr  Pr2  1  0.5000  0.5000  0.8295  1.0
  Nd  Nd3  1  0.0000  0.0000  0.0038  1.0
]