data_[Y8Ga8Hg4]
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 [10.9950]
_cell_length_b [4.4840]
_cell_length_c [10.5745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Ga2Hg]
_chemical_formula_sum '[Y8 Ga8 Hg4]'
_cell_volume [463.7605]
_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  0.0037  0.0000  0.3219  1.0
  Y  Y1  4  0.1818  0.0000  0.0977  1.0
  Ga  Ga2  4  0.0336  0.5000  0.8939  1.0
  Ga  Ga3  4  0.1304  0.5000  0.5678  1.0
  Hg  Hg4  4  0.2192  0.5000  0.3438  1.0
]