data_[Zr20Hg4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Hg  2.0000  1.5000  1.2450
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9731]
_cell_length_b [7.3480]
_cell_length_c [10.8277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr5HgOs]
_chemical_formula_sum '[Zr20 Hg4 Os4]'
_cell_volume [614.3736]
_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  0.1326  0.3498  0.0584  1
  Zr  Zr1  8  0.2355  0.3086  0.3727  1
  Zr  Zr2  4  0.0000  0.0025  0.2500  1
  Hg  Hg3  4  0.0000  0.3975  0.7500  1
  Os  Os4  4  0.0000  0.0000  0.0000  1
]