data_[Sr16Hg4Pt4]
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 [C2/c]
_cell_length_a [9.9316]
_cell_length_b [16.2343]
_cell_length_c [7.5750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr4HgPt]
_chemical_formula_sum '[Sr16 Hg4 Pt4]'
_cell_volume [975.8333]
_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
[
  Sr  Sr0  8  0.1417  0.2066  0.6359  1.0
  Sr  Sr1  8  0.2478  0.0375  0.2372  1.0
  Hg  Hg2  4  0.0000  0.3712  0.2500  1.0
  Pt  Pt3  4  0.0000  0.0726  0.7500  1.0
]