data_[Mg4Hg8Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4710]
_cell_length_b [29.8970]
_cell_length_c [3.5633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MgHg2Bi]
_chemical_formula_sum '[Mg4 Hg8 Bi4]'
_cell_volume [476.3063]
_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
[
  Mg  Mg0  4  0.0000  0.2817  0.2500  1
  Hg  Hg1  4  0.0000  0.0426  0.7500  1
  Hg  Hg2  4  0.0000  0.4115  0.7500  1
  Bi  Bi3  4  0.0000  0.1768  0.2500  1
]