data_[Ho4Hg10Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.7347]
_cell_length_b [13.4642]
_cell_length_c [4.4168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ho2Hg5Bi]
_chemical_formula_sum '[Ho4 Hg10 Bi2]'
_cell_volume [400.5048]
_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
[
  Ho  Ho0  4  0.2314  0.6203  0.5000  1
  Hg  Hg1  4  0.0378  0.2455  0.0000  1
  Hg  Hg2  4  0.2173  0.8636  0.5000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  2  0.0000  0.5000  0.0000  1
]