data_[Be6Hg6Pt18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.5397]
_cell_length_b [7.5397]
_cell_length_c [9.5596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [BeHgPt3]
_chemical_formula_sum '[Be6 Hg6 Pt18]'
_cell_volume [470.6231]
_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
[
  Be  Be0  6  0.0000  0.0000  0.2500  1
  Hg  Hg1  6  0.0000  0.0000  0.0000  1
  Pt  Pt2  18  0.0000  0.2983  0.2500  1
]