data_[Y4Ag4Hg12]
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 [Pnma]
_cell_length_a [9.6632]
_cell_length_b [4.9095]
_cell_length_c [10.0137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YAgHg3]
_chemical_formula_sum '[Y4 Ag4 Hg12]'
_cell_volume [475.0634]
_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
[
  Y  Y0  4  0.2476  0.2500  0.9978  1.0
  Ag  Ag1  4  0.1355  0.2500  0.6728  1.0
  Hg  Hg2  4  0.0575  0.2500  0.3930  1.0
  Hg  Hg3  4  0.0728  0.7500  0.1253  1.0
  Hg  Hg4  4  0.1448  0.7500  0.8259  1.0
]