data_[Li2Np1Ir1O6]
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
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.8089]
_cell_length_b [5.8089]
_cell_length_c [4.0098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Li2NpIrO6]
_chemical_formula_sum '[Li2 Np1 Ir1 O6]'
_cell_volume [135.3065]
_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  2  0.0000  0.5000  0.8277  1
  Np  Np1  1  0.5000  0.5000  0.7056  1
  Ir  Ir2  1  0.0000  0.0000  0.7226  1
  O  O3  4  0.2467  0.2467  0.7317  1
  O  O4  1  0.0000  0.0000  0.2252  1
  O  O5  1  0.5000  0.5000  0.2111  1
]