data_[Ce2Sm4Pu6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  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 [7.0281]
_cell_length_b [12.1718]
_cell_length_c [6.9864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSm2(PuP2)3]
_chemical_formula_sum '[Ce2 Sm4 Pu6 P12]'
_cell_volume [563.0527]
_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
  Sm  Sm1  4  0.0000  0.3334  0.0000  1
  Pu  Pu2  4  0.0000  0.1672  0.5000  1
  Pu  Pu3  2  0.0000  0.5000  0.5000  1
  P  P4  8  0.2477  0.3344  0.7397  1
  P  P5  4  0.2444  0.0000  0.7400  1
]