data_[Ga12Ag24Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.1330]
_cell_length_b [12.5346]
_cell_length_c [6.7038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ga3Ag6Hg]
_chemical_formula_sum '[Ga12 Ag24 Hg4]'
_cell_volume [767.4430]
_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
[
  Ga  Ga0  8  0.1465  0.1279  0.9310  1.0
  Ga  Ga1  4  0.0000  0.4511  0.8284  1.0
  Ag  Ag2  8  0.2208  0.4657  0.1223  1.0
  Ag  Ag3  8  0.2462  0.3123  0.7962  1.0
  Ag  Ag4  4  0.0000  0.0470  0.2919  1.0
  Ag  Ag5  4  0.0000  0.2981  0.1177  1.0
  Hg  Hg6  4  0.0000  0.2481  0.5484  1.0
]