data_[Pm2Dy4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1012]
_cell_length_b [7.5132]
_cell_length_c [14.5277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pm(DyHg4)2]
_chemical_formula_sum '[Pm2 Dy4 Hg16]'
_cell_volume [556.7964]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Dy  Dy1  4  0.0000  0.5000  0.1934  1
  Hg  Hg2  8  0.0000  0.2101  0.3509  1
  Hg  Hg3  4  0.0000  0.0000  0.1567  1
  Hg  Hg4  4  0.0000  0.2944  0.0000  1
]