data_[Ce4Pr12Nd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.6362]
_cell_length_b [11.8966]
_cell_length_c [7.3056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ce(PrNd)3]
_chemical_formula_sum '[Ce4 Pr12 Nd12]'
_cell_volume [1011.3185]
_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
[
  Ce  Ce0  4  0.0000  0.2833  0.0000  1
  Pr  Pr1  4  0.0000  0.2740  0.5000  1
  Pr  Pr2  4  0.2050  0.5000  0.5000  1
  Pr  Pr3  4  0.2057  0.5000  0.0000  1
  Nd  Nd4  8  0.2500  0.2500  0.2427  1
  Nd  Nd5  4  0.0000  0.0000  0.2461  1
]