data_[Pm15Hg21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1624]
_cell_length_b [5.1624]
_cell_length_c [44.1476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm5Hg7]
_chemical_formula_sum '[Pm15 Hg21]'
_cell_volume [1018.9074]
_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  6  0.0000  0.0000  0.1405  1
  Pm  Pm1  6  0.0000  0.0000  0.3997  1
  Pm  Pm2  3  0.0000  0.0000  0.0000  1
  Hg  Hg3  6  0.0000  0.0000  0.0709  1
  Hg  Hg4  6  0.0000  0.0000  0.2227  1
  Hg  Hg5  6  0.0000  0.0000  0.3058  1
  Hg  Hg6  3  -0.0000  -0.0000  0.5000  1
]