data_[Ba4Hg2Bi5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.4160]
_cell_length_b [5.0940]
_cell_length_c [9.9586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Hg2Bi5]
_chemical_formula_sum '[Ba4 Hg2 Bi5]'
_cell_volume [426.8629]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  2  0.2321  0.5000  0.8676  1
  Ba  Ba1  2  0.2617  0.5000  0.3777  1
  Hg  Hg2  2  0.0824  0.0000  0.6244  1
  Bi  Bi3  2  0.1230  0.0000  0.1225  1
  Bi  Bi4  2  0.4390  0.0000  0.6579  1
  Bi  Bi5  1  0.5000  0.0000  0.0000  1
]