data_[Pm3Nd3Ho6Hg12]
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
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3320]
_cell_length_b [5.3320]
_cell_length_c [26.1155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PmNd(HoHg2)2]
_chemical_formula_sum '[Pm3 Nd3 Ho6 Hg12]'
_cell_volume [642.9927]
_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  0.5000  1
  Nd  Nd1  3  0.0000  0.0000  0.0000  1
  Ho  Ho2  6  0.0000  0.0000  0.2499  1
  Hg  Hg3  6  0.0000  0.0000  0.1256  1
  Hg  Hg4  6  0.0000  0.0000  0.3755  1
]