data_[Y6Ag8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4069]
_cell_length_b [4.8798]
_cell_length_c [30.2833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y3(AgHg)4]
_chemical_formula_sum '[Y6 Ag8 Hg8]'
_cell_volume [503.4608]
_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  0.0000  0.5000  0.1391  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.0000  0.0000  0.2647  1.0
  Ag  Ag3  4  0.0000  0.5000  0.4082  1.0
  Hg  Hg4  4  0.0000  0.0000  0.4528  1.0
  Hg  Hg5  4  0.0000  0.5000  0.3144  1.0
]