data_[Pu6Cu4As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0855]
_cell_length_b [3.9943]
_cell_length_c [8.6272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3(CuAs2)2]
_chemical_formula_sum '[Pu6 Cu4 As8]'
_cell_volume [369.8695]
_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  4  0.1283  0.5000  0.7089  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.1863  0.5000  0.3768  1
  As  As3  4  0.0770  0.0000  0.3904  1
  As  As4  4  0.1799  0.5000  0.0873  1
]