data_[Pm3Pr21Nd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.4465]
_cell_length_b [12.4465]
_cell_length_c [16.1574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [PmPr7Nd12]
_chemical_formula_sum '[Pm3 Pr21 Nd36]'
_cell_volume [2167.7038]
_cell_formula_units_Z [3]
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  18  0.0552  0.8681  0.7944  1
  Pr  Pr1  3  -0.0000  0.0000  0.5000  1
  Pm  Pm2  3  0.0000  0.0000  0.0000  1
  Nd  Nd3  18  0.0215  0.5772  0.7212  1
  Nd  Nd4  18  0.0547  0.4648  0.0817  1
]