data_[Sr8Hg8Bi4]
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 [12.9218]
_cell_length_b [4.8381]
_cell_length_c [12.5225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Hg2Bi]
_chemical_formula_sum '[Sr8 Hg8 Bi4]'
_cell_volume [689.8182]
_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  0.0800  0.0000  0.3720  1
  Sr  Sr1  4  0.1839  0.0000  0.0931  1
  Hg  Hg2  4  0.0383  0.5000  0.8787  1
  Hg  Hg3  4  0.0920  0.5000  0.6280  1
  Bi  Bi4  4  0.2353  0.5000  0.3099  1
]