data_[Pm4Hg12Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.1843]
_cell_length_b [5.1058]
_cell_length_c [9.4828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PmHg3Au]
_chemical_formula_sum '[Pm4 Hg12 Au4]'
_cell_volume [493.0931]
_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  4  0.2456  0.2500  0.9868  1
  Hg  Hg1  4  0.0533  0.7500  0.8618  1
  Hg  Hg2  4  0.0663  0.2500  0.5981  1
  Hg  Hg3  4  0.1317  0.7500  0.1659  1
  Au  Au4  4  0.1753  0.2500  0.3107  1
]