data_[Ce1Pm2Nd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6608]
_cell_length_b [3.6608]
_cell_length_c [20.8114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ce(PmNd2)2]
_chemical_formula_sum '[Ce1 Pm2 Nd4]'
_cell_volume [241.5324]
_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
[
  Ce  Ce0  1  0.6667  0.3333  0.6663  1
  Pm  Pm1  1  0.6667  0.3333  0.0947  1
  Pm  Pm2  1  0.6667  0.3333  0.3819  1
  Nd  Nd3  1  0.0000  0.0000  0.2391  1
  Nd  Nd4  1  0.0000  0.0000  0.9516  1
  Nd  Nd5  1  0.3333  0.6667  0.5265  1
  Nd  Nd6  1  0.3333  0.6667  0.8080  1
]