data_[Ho16Tl4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6220]
_cell_length_b [13.1860]
_cell_length_c [6.6616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho4TlBi]
_chemical_formula_sum '[Ho16 Tl4 Bi4]'
_cell_volume [721.7156]
_cell_formula_units_Z [4]
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  0.0929  0.1934  0.0572  1.0
  Ho  Ho1  8  0.1975  0.4037  0.4092  1.0
  Tl  Tl2  4  0.0000  0.0076  0.7500  1.0
  Bi  Bi3  4  0.0000  0.3885  0.7500  1.0
]