data_[Y6Zn4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8381]
_cell_length_b [4.7931]
_cell_length_c [8.9155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(ZnHg2)2]
_chemical_formula_sum '[Y6 Zn4 Hg8]'
_cell_volume [416.3474]
_cell_formula_units_Z [2]
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
[
  Y  Y0  4  0.1636  0.5000  0.6680  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1119  0.5000  0.2842  1.0
  Hg  Hg3  4  0.0682  0.0000  0.3914  1.0
  Hg  Hg4  4  0.2106  0.5000  0.0573  1.0
]