data_[Li3Ho6Np3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Np  1.3600  1.7500  1.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7255]
_cell_length_b [5.7255]
_cell_length_c [15.0613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiHo2NpO6]
_chemical_formula_sum '[Li3 Ho6 Np3 O18]'
_cell_volume [427.5885]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2033  1
  Ho  Ho1  3  0.0000  0.0000  0.4721  1
  Ho  Ho2  3  0.0000  0.0000  0.9794  1
  Np  Np3  3  0.0000  0.0000  0.6821  1
  O  O4  9  0.0009  0.7167  0.5878  1
  O  O5  9  0.0310  0.3495  0.7462  1
]