data_[Pr6Hg6Pt45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.4682]
_cell_length_b [9.4682]
_cell_length_c [13.4622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2Hg2Pt15]
_chemical_formula_sum '[Pr6 Hg6 Pt45]'
_cell_volume [1045.1471]
_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
[
  Pr  Pr0  6  0.0000  0.0000  0.3503  1.0
  Hg  Hg1  6  0.0000  0.0000  0.1035  1.0
  Pt  Pt2  18  0.0000  0.3183  0.0000  1.0
  Pt  Pt3  18  0.0062  0.5031  0.1594  1.0
  Pt  Pt4  9  0.0000  0.5000  0.5000  1.0
]