data_[Y4Ho12Tl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [9.3129]
_cell_length_b [9.3129]
_cell_length_c [9.3129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Y(HoTl)3]
_chemical_formula_sum '[Y4 Ho12 Tl12]'
_cell_volume [807.7195]
_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
[
  Y  Y0  4  0.0718  0.5718  0.9282  1
  Ho  Ho1  4  0.0748  0.4252  0.5748  1
  Ho  Ho2  4  0.1767  0.1767  0.1767  1
  Ho  Ho3  4  0.1768  0.8232  0.3232  1
  Tl  Tl4  12  0.0005  0.7476  0.6248  1
]