data_[Nd6Pu2Th4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0389]
_cell_length_b [4.1411]
_cell_length_c [8.2653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Pu(ThP3)2]
_chemical_formula_sum '[Nd6 Pu2 Th4 P12]'
_cell_volume [600.7264]
_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
[
  Nd  Nd0  4  0.1665  0.0000  0.8338  1
  Nd  Nd1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  2  0.0000  0.5000  0.0000  1
  Th  Th3  4  0.1649  0.0000  0.3301  1
  P  P4  4  0.0005  0.0000  0.2415  1
  P  P5  4  0.1644  0.5000  0.0844  1
  P  P6  4  0.1682  0.5000  0.5805  1
]