data_[Pm8Sn12Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.4245]
_cell_length_b [16.2088]
_cell_length_c [9.1411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pm2Sn3Hg4]
_chemical_formula_sum '[Pm8 Sn12 Hg16]'
_cell_volume [951.9016]
_cell_formula_units_Z [4]
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  8  0.0000  0.1184  0.5600  1
  Sn  Sn1  8  0.2500  0.2168  0.2500  1
  Sn  Sn2  4  0.0000  0.0000  0.0000  1
  Hg  Hg3  8  0.0000  0.1773  0.9529  1
  Hg  Hg4  8  0.2500  0.0341  0.2500  1
]