data_[Ce2Nd4Pu6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0620]
_cell_length_b [12.2300]
_cell_length_c [7.0236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeNd2(PuP2)3]
_chemical_formula_sum '[Ce2 Nd4 Pu6 P12]'
_cell_volume [571.5366]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Nd  Nd1  4  0.0000  0.3335  0.0000  1
  Pu  Pu2  4  0.0000  0.1676  0.5000  1
  Pu  Pu3  2  0.0000  0.5000  0.5000  1
  P  P4  8  0.2479  0.3355  0.7371  1
  P  P5  4  0.2412  0.0000  0.7371  1
]