data_[Pr36Nd21In3]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.7784]
_cell_length_b [13.7784]
_cell_length_c [12.6315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr12Nd7In]
_chemical_formula_sum '[Pr36 Nd21 In3]'
_cell_volume [2076.7422]
_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  0.0000  0.2550  0.0000  1.0
  Pr  Pr1  18  0.0488  0.5244  0.1157  1.0
  Nd  Nd2  18  0.0888  0.1776  0.7697  1.0
  Nd  Nd3  3  0.0000  0.0000  0.5000  1.0
  In  In4  3  0.0000  0.0000  0.0000  1.0
]