data_[Hg2Bi2O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8318]
_cell_length_b [3.5653]
_cell_length_c [7.1054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HgBiO2]
_chemical_formula_sum '[Hg2 Bi2 O4]'
_cell_volume [163.2108]
_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
[
  Hg  Hg0  2  0.0016  0.2500  0.3425  1.0
  Bi  Bi1  2  0.4336  0.7500  0.1940  1.0
  O  O2  2  0.2228  0.2500  0.1738  1.0
  O  O3  2  0.3484  0.7500  0.8758  1.0
]