data_[Y20Ga8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.1798]
_cell_length_b [7.6777]
_cell_length_c [7.6299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Y5(GaHg)2]
_chemical_formula_sum '[Y20 Ga8 Hg8]'
_cell_volume [947.8034]
_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  16  0.1319  0.1834  0.3251  1
  Y  Y1  4  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.0000  0.1197  0.6205  1
  Hg  Hg3  8  0.2163  0.0000  0.0000  1
]