data_[Li1Pu1As2O7]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4300]
_cell_length_b [5.5034]
_cell_length_c [5.9048]
_cell_angle_alpha [91.7585]
_cell_angle_beta [91.1130]
_cell_angle_gamma [95.1949]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiPuAs2O7]
_chemical_formula_sum '[Li1 Pu1 As2 O7]'
_cell_volume [175.6037]
_cell_formula_units_Z [1]
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  1  0.2236  0.7689  0.5097  1
  Pu  Pu1  1  0.6183  0.3861  0.5003  1
  As  As2  1  0.1645  0.2226  0.8755  1
  As  As3  1  0.7657  0.8393  0.1265  1
  O  O4  1  0.0573  0.9248  0.9862  1
  O  O5  1  0.3232  0.1086  0.6389  1
  O  O6  1  0.3914  0.4965  0.2942  1
  O  O7  1  0.4982  0.6036  0.7121  1
  O  O8  1  0.7250  0.1446  0.2725  1
  O  O9  1  0.8698  0.2929  0.7233  1
  O  O10  1  0.8873  0.6879  0.3608  1
]