data_[Y9Zn24Hg3]
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 [R3m]
_cell_length_a [5.4458]
_cell_length_b [5.4458]
_cell_length_c [26.8361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y3Zn8Hg]
_chemical_formula_sum '[Y9 Zn24 Hg3]'
_cell_volume [689.2377]
_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
[
  Y  Y0  3  0.0000  0.0000  0.3785  1.0
  Y  Y1  3  0.0000  0.0000  0.5046  1.0
  Y  Y2  3  0.0000  0.0000  0.9925  1.0
  Zn  Zn3  9  0.1674  0.3349  0.2727  1.0
  Zn  Zn4  9  0.1700  0.3399  0.7697  1.0
  Zn  Zn5  3  0.0000  0.0000  0.1875  1.0
  Zn  Zn6  3  0.0000  0.0000  0.6886  1.0
  Hg  Hg7  3  0.0000  0.0000  0.8710  1.0
]