data_[Y16Cu24Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.0492]
_cell_length_b [8.9501]
_cell_length_c [15.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Y2Cu3Hg]
_chemical_formula_sum '[Y16 Cu24 Hg8]'
_cell_volume [964.6215]
_cell_formula_units_Z [8]
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  0.2431  0.0000  0.0000  1.0
  Y  Y1  8  0.2500  0.2500  0.2500  1.0
  Cu  Cu2  16  0.0000  0.2408  0.0809  1.0
  Cu  Cu3  8  0.0000  0.0000  0.1602  1.0
  Hg  Hg4  8  0.0000  0.0000  0.3338  1.0
]