data_[Ho16Tl4Fe2]
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/m]
_cell_length_a [17.1892]
_cell_length_b [5.5070]
_cell_length_c [6.8630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8Tl2Fe]
_chemical_formula_sum '[Ho16 Tl4 Fe2]'
_cell_volume [599.5528]
_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  0.0090  0.0000  0.7702  1.0
  Ho  Ho1  4  0.1020  0.5000  0.3963  1.0
  Ho  Ho2  4  0.1349  0.5000  0.9064  1.0
  Ho  Ho3  4  0.1955  0.0000  0.2429  1.0
  Tl  Tl4  4  0.1828  0.0000  0.6926  1.0
  Fe  Fe5  2  0.0000  0.5000  0.0000  1.0
]