data_[Pr6Hg6Pt6]
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 [Pmma]
_cell_length_a [13.6412]
_cell_length_b [3.9508]
_cell_length_c [7.9985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrHgPt]
_chemical_formula_sum '[Pr6 Hg6 Pt6]'
_cell_volume [431.0755]
_cell_formula_units_Z [6]
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  4  0.0503  0.0000  0.7680  1.0
  Pr  Pr1  2  0.2500  0.0000  0.1682  1.0
  Hg  Hg2  4  0.1133  0.5000  0.4334  1.0
  Hg  Hg3  2  0.2500  0.5000  0.8196  1.0
  Pt  Pt4  4  0.0942  0.5000  0.0683  1.0
  Pt  Pt5  2  0.2500  0.0000  0.5596  1.0
]