data_[Zr16Sn4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6468]
_cell_length_b [5.5709]
_cell_length_c [6.5320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4SnHg]
_chemical_formula_sum '[Zr16 Sn4 Hg4]'
_cell_volume [596.4749]
_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
[
  Zr  Zr0  8  0.0754  0.3925  0.9355  1
  Zr  Zr1  8  0.1434  0.1229  0.5998  1
  Sn  Sn2  4  0.0000  0.1120  0.2500  1
  Hg  Hg3  4  0.2500  0.2500  0.0000  1
]