data_[Ho10Hg2Bi8]
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 [I4/m]
_cell_length_a [9.9253]
_cell_length_b [9.9253]
_cell_length_c [6.2513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ho5HgBi4]
_chemical_formula_sum '[Ho10 Hg2 Bi8]'
_cell_volume [615.8202]
_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  8  0.1033  0.6984  0.0000  1.0
  Ho  Ho1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  8  0.0991  0.6995  0.5000  1.0
]