data_[Ho3Tl9]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4355]
_cell_length_b [18.4093]
_cell_length_c [18.4093]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HoTl3]
_chemical_formula_sum '[Ho3 Tl9]'
_cell_volume [1888.8009]
_cell_formula_units_Z [3]
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  1  0.4974  0.9856  0.3325  1
  Ho  Ho1  1  0.6635  0.0222  0.6212  1
  Ho  Ho2  1  0.9947  0.8759  0.4889  1
  Tl  Tl3  1  0.1898  0.0102  0.6678  1
  Tl  Tl4  1  0.2251  0.8336  0.3149  1
  Tl  Tl5  1  0.3017  0.0159  0.4962  1
  Tl  Tl6  1  0.4478  0.1952  0.6733  1
  Tl  Tl7  1  0.4657  0.1796  0.4898  1
  Tl  Tl8  1  0.4824  0.8381  0.4817  1
  Tl  Tl9  1  0.7264  0.8309  0.3254  1
  Tl  Tl10  1  0.8355  0.0369  0.4609  1
  Tl  Tl11  1  0.9802  0.1759  0.6474  1
]