data_[Ho16Hg2Bi4]
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 [C2/m]
_cell_length_a [18.1263]
_cell_length_b [5.1530]
_cell_length_c [6.9595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8HgBi2]
_chemical_formula_sum '[Ho16 Hg2 Bi4]'
_cell_volume [648.9024]
_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  0.0309  0.0000  0.7471  1.0
  Ho  Ho1  4  0.0907  0.5000  0.4382  1.0
  Ho  Ho2  4  0.1626  0.5000  0.9075  1.0
  Ho  Ho3  4  0.2125  0.0000  0.6182  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.1600  0.0000  0.1707  1.0
]