data_[Pm12Sn8Hg12]
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 [Cmcm]
_cell_length_a [4.5837]
_cell_length_b [11.7794]
_cell_length_c [16.1998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm3Sn2Hg3]
_chemical_formula_sum '[Pm12 Sn8 Hg12]'
_cell_volume [874.6878]
_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  0.0660  0.6093  1
  Pm  Pm1  4  0.0000  0.3432  0.7500  1
  Sn  Sn2  8  0.0000  0.2224  0.1161  1
  Hg  Hg3  8  0.0000  0.3797  0.5336  1
  Hg  Hg4  4  0.0000  0.3978  0.2500  1
]