data_[Ba4Sn4Hg4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8077]
_cell_length_b [5.3798]
_cell_length_c [10.3748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSnHgSb2]
_chemical_formula_sum '[Ba4 Sn4 Hg4 Sb8]'
_cell_volume [695.7989]
_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  0.2080  0.0000  0.7119  1.0
  Sn  Sn1  4  0.0946  0.0000  0.2519  1.0
  Hg  Hg2  4  0.1099  0.5000  0.8275  1.0
  Sb  Sb3  4  0.1225  0.5000  0.4158  1.0
  Sb  Sb4  4  0.1433  0.0000  0.0078  1.0
]