data_[Pa3Hg3Rh12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.3485]
_cell_length_b [7.3485]
_cell_length_c [17.6079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PaHg(RhS2)4]
_chemical_formula_sum '[Pa3 Hg3 Rh12 S24]'
_cell_volume [823.4497]
_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
[
  Pa  Pa0  3  0.0000  0.0000  0.9927  1
  Hg  Hg1  3  0.0000  0.0000  0.3699  1
  Rh  Rh2  9  0.0071  0.5035  0.5023  1
  Rh  Rh3  3  0.0000  0.0000  0.6273  1
  S  S4  9  0.0266  0.5133  0.7648  1
  S  S5  9  0.1668  0.3336  0.5717  1
  S  S6  3  0.0000  0.0000  0.2306  1
  S  S7  3  0.0000  0.0000  0.7632  1
]