data_[Pm36Ga3Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.5611]
_cell_length_b [13.5611]
_cell_length_c [12.4381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm12GaHg6]
_chemical_formula_sum '[Pm36 Ga3 Hg18]'
_cell_volume [1980.9526]
_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
[
  Pm  Pm0  18  0.0322  0.2113  0.3940  1
  Pm  Pm1  18  0.0461  0.2076  0.8872  1
  Ga  Ga2  3  0.0000  0.0000  0.0000  1
  Hg  Hg3  18  0.0457  0.2656  0.6449  1
]