data_[Sr8Hg4Bi4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2742]
_cell_length_b [19.1530]
_cell_length_c [12.7252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2HgBiSe5]
_chemical_formula_sum '[Sr8 Hg4 Bi4 Se20]'
_cell_volume [1041.7388]
_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  0.1015  0.6748  1
  Sr  Sr1  4  0.0000  0.1202  0.3114  1
  Hg  Hg2  4  0.0000  0.4546  0.4545  1
  Bi  Bi3  4  0.0000  0.2240  0.0154  1
  Se  Se4  4  0.0000  0.0663  0.0711  1
  Se  Se5  4  0.0000  0.2680  0.6803  1
  Se  Se6  4  0.0000  0.2850  0.3525  1
  Se  Se7  4  0.0000  0.3705  0.9983  1
  Se  Se8  4  0.0000  0.4995  0.7657  1
]