data_[Hg8B8Pt24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5447]
_cell_length_b [9.8242]
_cell_length_c [5.6754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgBPt3]
_chemical_formula_sum '[Hg8 B8 Pt24]'
_cell_volume [622.9482]
_cell_formula_units_Z [8]
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
[
  Hg  Hg0  4  0.0000  0.2458  0.2500  1.0
  Hg  Hg1  4  0.0000  0.2663  0.7500  1.0
  B  B2  8  0.2492  0.0815  0.5270  1.0
  Pt  Pt3  8  0.1194  0.0079  0.7281  1.0
  Pt  Pt4  8  0.1206  0.4933  0.1483  1.0
  Pt  Pt5  8  0.2494  0.2428  0.2480  1.0
]