data_[Pu12Te2As10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [7.2626]
_cell_length_b [12.5839]
_cell_length_c [7.2600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu6TeAs5]
_chemical_formula_sum '[Pu12 Te2 As10]'
_cell_volume [625.2984]
_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
[
  Pu  Pu0  8  0.2401  0.3265  0.7411  1
  Pu  Pu1  4  0.2383  0.5000  0.2551  1
  Te  Te2  2  0.0000  0.0000  0.0000  1
  As  As3  4  0.0000  0.1601  0.5000  1
  As  As4  4  0.0000  0.3326  0.0000  1
  As  As5  2  0.0000  0.5000  0.5000  1
]