data_[Sr9Hg3Pt24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5365]
_cell_length_b [5.5365]
_cell_length_c [26.9848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr3HgPt8]
_chemical_formula_sum '[Sr9 Hg3 Pt24]'
_cell_volume [716.3319]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.3754  1.0
  Sr  Sr1  3  0.0000  0.0000  0.5038  1.0
  Sr  Sr2  3  0.0000  0.0000  0.9950  1.0
  Hg  Hg3  3  0.0000  0.0000  0.8741  1.0
  Pt  Pt4  9  0.0021  0.5011  0.4380  1.0
  Pt  Pt5  9  0.1667  0.3334  0.2707  1.0
  Pt  Pt6  3  0.0000  0.0000  0.1881  1.0
  Pt  Pt7  3  0.0000  0.0000  0.6875  1.0
]