data_[Sr6Hg4Bi8]
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 [17.7616]
_cell_length_b [5.0903]
_cell_length_c [7.3719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(HgBi2)2]
_chemical_formula_sum '[Sr6 Hg4 Bi8]'
_cell_volume [609.0195]
_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
[
  Sr  Sr0  4  0.1369  0.0000  0.6502  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1563  0.5000  0.0010  1.0
  Bi  Bi3  4  0.0241  0.5000  0.3246  1.0
  Bi  Bi4  4  0.2135  0.0000  0.2497  1.0
]