data_[Pu4Be4As2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6047]
_cell_length_b [3.8318]
_cell_length_c [7.4159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Be2AsP2]
_chemical_formula_sum '[Pu4 Be4 As2 P4]'
_cell_volume [260.1197]
_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  0.0184  0.5000  0.7284  1
  Be  Be1  4  0.2128  0.0000  0.3464  1
  As  As2  2  0.0000  0.0000  0.0000  1
  P  P3  4  0.1796  0.0000  0.6199  1
]