data_[Ho16Tl2Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9116]
_cell_length_b [4.9716]
_cell_length_c [7.5947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8TlCu2]
_chemical_formula_sum '[Ho16 Tl2 Cu4]'
_cell_volume [585.5843]
_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  0.0477  0.0000  0.7554  1
  Ho  Ho1  4  0.0975  0.5000  0.4743  1
  Ho  Ho2  4  0.1843  0.5000  0.9802  1
  Ho  Ho3  4  0.1854  0.0000  0.2855  1
  Tl  Tl4  2  0.0000  0.5000  0.0000  1
  Cu  Cu5  4  0.1904  0.0000  0.6551  1
]