data_[Pu6Ta2P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ta  1.5000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.6681]
_cell_length_b [7.7201]
_cell_length_c [6.7145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Pu3TaP4]
_chemical_formula_sum '[Pu6 Ta2 P8]'
_cell_volume [325.4262]
_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  2  0.0000  0.3715  0.2500  1
  Pu  Pu1  2  0.5000  0.1231  0.2500  1
  Pu  Pu2  2  0.5000  0.3711  0.7500  1
  Ta  Ta3  2  0.0000  0.1263  0.7500  1
  P  P4  4  0.2317  0.1133  0.5003  1
  P  P5  4  0.2394  0.3644  0.9893  1
]