data_[Hg4B4Pt12]
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/m]
_cell_length_a [9.9852]
_cell_length_b [5.7534]
_cell_length_c [6.3580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgBPt3]
_chemical_formula_sum '[Hg4 B4 Pt12]'
_cell_volume [312.9124]
_cell_formula_units_Z [4]
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  0.0951  0.0000  0.2966  1.0
  B  B1  4  0.1673  0.5000  0.0048  1.0
  Pt  Pt2  8  0.1656  0.2546  0.7398  1.0
  Pt  Pt3  4  0.0822  0.5000  0.2623  1.0
]