data_[Sr3Pu3Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pu  1.2800  1.7500  0.9675
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5708]
_cell_length_b [4.5708]
_cell_length_c [22.6295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [SrPuTe2]
_chemical_formula_sum '[Sr3 Pu3 Te6]'
_cell_volume [409.4330]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  2  0.3333  0.6667  0.6761  1
  Sr  Sr1  1  0.0000  0.0000  0.5000  1
  Pu  Pu2  2  0.3333  0.6667  0.1551  1
  Pu  Pu3  1  0.0000  0.0000  0.0000  1
  Te  Te4  2  0.0000  0.0000  0.2347  1
  Te  Te5  2  0.3333  0.6667  0.4117  1
  Te  Te6  2  0.3333  0.6667  0.9219  1
]