data_[Pm3Hg9Au24]
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 [R3m]
_cell_length_a [5.6526]
_cell_length_b [5.6526]
_cell_length_c [27.3999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PmHg3Au8]
_chemical_formula_sum '[Pm3 Hg9 Au24]'
_cell_volume [758.1783]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8736  1
  Hg  Hg1  3  0.0000  0.0000  0.0018  1
  Hg  Hg2  3  0.0000  0.0000  0.3752  1
  Hg  Hg3  3  0.0000  0.0000  0.4980  1
  Au  Au4  9  0.0009  0.5005  0.4380  1
  Au  Au5  9  0.1673  0.3345  0.2707  1
  Au  Au6  3  0.0000  0.0000  0.1876  1
  Au  Au7  3  0.0000  0.0000  0.6877  1
]