data_[Sr8Hg4Bi4S20]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0714]
_cell_length_b [18.1006]
_cell_length_c [12.4148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2HgBiS5]
_chemical_formula_sum '[Sr8 Hg4 Bi4 S20]'
_cell_volume [914.9047]
_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  0.0000  0.1060  0.6800  1.0
  Sr  Sr1  4  0.0000  0.1242  0.3077  1.0
  Hg  Hg2  4  0.0000  0.4621  0.4568  1.0
  Bi  Bi3  4  0.0000  0.2191  0.0133  1.0
  S  S4  4  0.0000  0.0626  0.0705  1.0
  S  S5  4  0.0000  0.2740  0.6708  1.0
  S  S6  4  0.0000  0.2920  0.3567  1.0
  S  S7  4  0.0000  0.3665  0.9994  1.0
  S  S8  4  0.0000  0.4990  0.7688  1.0
]