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 [8.5059]
_cell_length_b [5.0930]
_cell_length_c [9.8544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Hg2Bi5]
_chemical_formula_sum '[Ba4 Hg2 Bi5]'
_cell_volume [426.8544]
_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  0.2302  0.5000  0.8676  1.0
  Ba  Ba1  2  0.2619  0.5000  0.3774  1.0
  Hg  Hg2  2  0.0839  0.0000  0.6244  1.0
  Bi  Bi3  2  0.1283  0.0000  0.1208  1.0
  Bi  Bi4  2  0.4442  0.0000  0.6593  1.0
  Bi  Bi5  1  0.5000  0.0000  0.0000  1.0
]