data_[Y16Fe4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6067]
_cell_length_b [12.4590]
_cell_length_c [6.1566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4FeHg]
_chemical_formula_sum '[Y16 Fe4 Hg4]'
_cell_volume [636.9982]
_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  8  0.1035  0.1637  0.5390  1
  Y  Y1  8  0.2143  0.4190  0.9051  1
  Fe  Fe2  4  0.0000  0.0017  0.7500  1
  Hg  Hg3  4  0.0000  0.3707  0.2500  1
]