data_[Pm12Nd8Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.0756]
_cell_length_b [18.3898]
_cell_length_c [8.3445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pm3(NdHg2)2]
_chemical_formula_sum '[Pm12 Nd8 Hg16]'
_cell_volume [1085.7841]
_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  0.2500  0.2397  0.7500  1
  Pm  Pm1  4  0.0000  0.0000  0.0000  1
  Nd  Nd2  8  0.0000  0.0946  0.4143  1
  Hg  Hg3  8  0.0000  0.1656  0.0297  1
  Hg  Hg4  8  0.2500  0.0672  0.7500  1
]