data_[Li1Np1Te2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Np  1.3600  1.7500  1.0000
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1227]
_cell_length_b [5.3945]
_cell_length_c [7.1518]
_cell_angle_alpha [82.3603]
_cell_angle_beta [79.9525]
_cell_angle_gamma [81.0691]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiNp(TeO4)2]
_chemical_formula_sum '[Li1 Np1 Te2 O8]'
_cell_volume [191.1041]
_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  0.0000  0.0000  0.5000  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Te  Te2  2  0.4895  0.4815  0.7267  1
  O  O3  2  0.1598  0.0458  0.2034  1
  O  O4  2  0.2304  0.2574  0.7862  1
  O  O5  2  0.2909  0.7042  0.9339  1
  O  O6  2  0.3233  0.7029  0.5332  1
]