data_[Ba2Sr4Hg14Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.9448]
_cell_length_b [7.0313]
_cell_length_c [15.8434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [BaSr2Hg7Bi2]
_chemical_formula_sum '[Ba2 Sr4 Hg14 Bi4]'
_cell_volume [773.6555]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Sr  Sr1  4  0.0000  0.0000  0.3282  1.0
  Hg  Hg2  8  0.2500  0.2500  0.1638  1.0
  Hg  Hg3  4  0.0000  0.2782  0.5000  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.0000  0.5000  0.3127  1.0
]