data_[K1Nd1Pu2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9100]
_cell_length_b [4.5098]
_cell_length_c [7.9498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KNd(PuTe2)2]
_chemical_formula_sum '[K1 Nd1 Pu2 Te4]'
_cell_volume [268.6143]
_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
[
  K  K0  1  0.0000  0.0000  0.0000  1
  Nd  Nd1  1  0.0000  0.5000  0.5000  1
  Pu  Pu2  1  0.5000  0.0000  0.5000  1
  Pu  Pu3  1  0.5000  0.5000  0.0000  1
  Te  Te4  2  0.2588  0.0000  0.7454  1
  Te  Te5  2  0.2671  0.5000  0.2660  1
]