data_[Pu4Cu8Te4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4234]
_cell_length_b [17.0151]
_cell_length_c [6.9132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PuCu2TeS2]
_chemical_formula_sum '[Pu4 Cu8 Te4 S8]'
_cell_volume [520.3141]
_cell_formula_units_Z [4]
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  4  0.0000  0.2080  0.7500  1
  Cu  Cu1  4  0.0000  0.4086  0.7500  1
  Cu  Cu2  4  0.0000  0.4269  0.2500  1
  Te  Te3  4  0.0000  0.0029  0.2500  1
  S  S4  8  0.0000  0.3300  0.0128  1
]