data_[Np3Hg3H24Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5420]
_cell_length_b [5.5420]
_cell_length_c [15.6672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NpHg(H2Rh)4]
_chemical_formula_sum '[Np3 Hg3 H24 Rh12]'
_cell_volume [416.7307]
_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
[
  Np  Np0  3  0.0000  0.0000  0.0002  1
  Hg  Hg1  3  0.0000  0.0000  0.3494  1
  H  H2  9  0.0029  0.5015  0.7873  1
  H  H3  9  0.0365  0.5182  0.2276  1
  H  H4  3  0.0000  0.0000  0.2127  1
  H  H5  3  0.0000  0.0000  0.7581  1
  Rh  Rh6  9  0.0073  0.5036  0.4988  1
  Rh  Rh7  3  0.0000  0.0000  0.6385  1
]