data_[Ce4Pm12Nd12]
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 [Cmmm]
_cell_length_a [11.5098]
_cell_length_b [11.8016]
_cell_length_c [7.2351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ce(PmNd)3]
_chemical_formula_sum '[Ce4 Pm12 Nd12]'
_cell_volume [982.7759]
_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  0.2854  0.0000  1
  Pm  Pm1  8  0.2500  0.2500  0.2416  1
  Pm  Pm2  4  0.0000  0.0000  0.2465  1
  Nd  Nd3  4  0.0000  0.2741  0.5000  1
  Nd  Nd4  4  0.2040  0.5000  0.0000  1
  Nd  Nd5  4  0.2044  0.5000  0.5000  1
]