data_[Hg8Bi4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [6.2661]
_cell_length_b [6.2675]
_cell_length_c [11.8257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [Hg2BiCl]
_chemical_formula_sum '[Hg8 Bi4 Cl4]'
_cell_volume [464.4240]
_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
[
  Hg  Hg0  4  0.0000  0.2459  0.6193  1
  Hg  Hg1  4  0.0000  0.2623  0.1305  1
  Bi  Bi2  4  0.0000  0.2408  0.8750  1
  Cl  Cl3  4  0.0000  0.2549  0.3750  1
]