data_[K2Pu2Te6As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pu  1.2800  1.7500  0.9675
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8498]
_cell_length_b [4.2396]
_cell_length_c [10.6791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KPuTe3As]
_chemical_formula_sum '[K2 Pu2 Te6 As2]'
_cell_volume [398.9371]
_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
[
  K  K0  2  0.1583  0.7500  0.3142  1
  Pu  Pu1  2  0.3624  0.2500  0.8405  1
  Te  Te2  2  0.1073  0.7500  0.8839  1
  Te  Te3  2  0.3859  0.2500  0.1336  1
  Te  Te4  2  0.3904  0.2500  0.5516  1
  As  As5  2  0.1948  0.7500  0.6536  1
]