data_[Li6Pu2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3005]
_cell_length_b [7.7642]
_cell_length_c [6.8742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Li3PuAs2]
_chemical_formula_sum '[Li6 Pu2 As4]'
_cell_volume [229.5311]
_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
[
  Li  Li0  2  0.0000  0.0882  0.4912  1
  Li  Li1  2  0.0000  0.2912  0.8563  1
  Li  Li2  2  0.5000  0.1491  0.1455  1
  Pu  Pu3  2  0.5000  0.4558  0.5101  1
  As  As4  2  0.0000  0.3633  0.2377  1
  As  As5  2  0.5000  0.1628  0.7592  1
]