data_[Ba4Hg16Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2791]
_cell_length_b [12.6510]
_cell_length_c [11.2331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaHg4Sb]
_chemical_formula_sum '[Ba4 Hg16 Sb4]'
_cell_volume [750.2170]
_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  0.2103  0.7500  1.0
  Hg  Hg1  8  0.0000  0.3313  0.0299  1.0
  Hg  Hg2  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  4  0.0000  0.4747  0.2500  1.0
  Sb  Sb4  4  0.0000  0.0907  0.2500  1.0
]