data_[Sr8Hg4Bi8]
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 [C2/m]
_cell_length_a [12.9540]
_cell_length_b [4.9556]
_cell_length_c [11.9244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2HgBi2]
_chemical_formula_sum '[Sr8 Hg4 Bi8]'
_cell_volume [707.8254]
_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  0.0227  0.0000  0.3394  1.0
  Sr  Sr1  4  0.1759  0.0000  0.1064  1.0
  Hg  Hg2  4  0.2089  0.5000  0.3390  1.0
  Bi  Bi3  4  0.0479  0.5000  0.8941  1.0
  Bi  Bi4  4  0.1370  0.5000  0.5845  1.0
]