data_[Ho16Bi2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0292]
_cell_length_b [5.0273]
_cell_length_c [7.1650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8BiAu2]
_chemical_formula_sum '[Ho16 Bi2 Au4]'
_cell_volume [628.9682]
_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  0.0351  0.0000  0.7495  1
  Ho  Ho1  4  0.0916  0.5000  0.4595  1
  Ho  Ho2  4  0.1728  0.5000  0.9658  1
  Ho  Ho3  4  0.2028  0.0000  0.3302  1
  Bi  Bi4  2  0.0000  0.5000  0.0000  1
  Au  Au5  4  0.1929  0.0000  0.7220  1
]