data_[Ba12Ga4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.9540]
_cell_length_b [23.3412]
_cell_length_c [5.9548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3GaHg]
_chemical_formula_sum '[Ba12 Ga4 Hg4]'
_cell_volume [827.5573]
_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
[
  Ba  Ba0  4  0.0000  0.0799  0.2500  1
  Ba  Ba1  4  0.0000  0.2507  0.2500  1
  Ba  Ba2  4  0.0000  0.4219  0.2500  1
  Ga  Ga3  4  0.0000  0.3418  0.7500  1
  Hg  Hg4  4  0.0000  0.1605  0.7500  1
]