data_[Y8Ga4Hg8]
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 [C2/m]
_cell_length_a [11.1989]
_cell_length_b [4.3923]
_cell_length_c [11.0986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2GaHg2]
_chemical_formula_sum '[Y8 Ga4 Hg8]'
_cell_volume [491.9358]
_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  0.0035  0.0000  0.3315  1.0
  Y  Y1  4  0.1846  0.0000  0.1073  1.0
  Ga  Ga2  4  0.2122  0.5000  0.3188  1.0
  Hg  Hg3  4  0.0416  0.5000  0.8874  1.0
  Hg  Hg4  4  0.1507  0.5000  0.5541  1.0
]