data_[Hg2B2Pt6]
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 [Amm2]
_cell_length_a [2.8254]
_cell_length_b [7.2227]
_cell_length_c [8.1022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HgBPt3]
_chemical_formula_sum '[Hg2 B2 Pt6]'
_cell_volume [165.3433]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0518  1
  B  B1  2  0.0000  0.0000  0.6568  1
  Pt  Pt2  4  0.5000  0.1961  0.7568  1
  Pt  Pt3  2  0.0000  0.0000  0.4059  1
]