data_[Sr4Hg12Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [7.3795]
_cell_length_b [7.4064]
_cell_length_c [11.0321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrHg3Bi]
_chemical_formula_sum '[Sr4 Hg12 Bi4]'
_cell_volume [602.3403]
_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
[
  Sr  Sr0  4  0.2626  0.2154  0.6342  1.0
  Hg  Hg1  4  0.1855  0.5397  0.8738  1.0
  Hg  Hg2  4  0.3328  0.5712  0.3740  1.0
  Hg  Hg3  4  0.4580  0.7069  0.1117  1.0
  Bi  Bi4  4  0.0423  0.6507  0.6065  1.0
]