data_[Pu1In2Te4Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8852]
_cell_length_b [4.4935]
_cell_length_c [8.1318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PuIn2Te4Pb]
_chemical_formula_sum '[Pu1 In2 Te4 Pb1]'
_cell_volume [273.0421]
_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
[
  Pu  Pu0  1  0.5000  0.0000  0.5000  1
  In  In1  1  0.0000  0.0000  0.0000  1
  In  In2  1  0.5000  0.5000  0.0000  1
  Te  Te3  2  0.2654  0.0000  0.7468  1
  Te  Te4  2  0.2710  0.5000  0.2652  1
  Pb  Pb5  1  0.0000  0.5000  0.5000  1
]