data_[Ho24Tl2Cu12]
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 [Im-3]
_cell_length_a [9.8167]
_cell_length_b [9.8167]
_cell_length_c [9.8167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Ho12TlCu6]
_chemical_formula_sum '[Ho24 Tl2 Cu12]'
_cell_volume [945.9989]
_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  24  0.0000  0.1890  0.2974  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  12  0.0000  0.3759  0.5000  1.0
]