data_[Ho16Tl4Fe4]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6899]
_cell_length_b [12.6874]
_cell_length_c [6.0326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho4TlFe]
_chemical_formula_sum '[Ho16 Tl4 Fe4]'
_cell_volume [637.1906]
_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  0.1069  0.1625  0.0455  1.0
  Ho  Ho1  8  0.2243  0.4225  0.3922  1.0
  Tl  Tl2  4  0.0000  0.3743  0.7500  1.0
  Fe  Fe3  4  0.0000  0.0007  0.2500  1.0
]