data_[Ho6Tl6Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [21.1620]
_cell_length_b [8.0798]
_cell_length_c [8.4353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [HoTlTe]
_chemical_formula_sum '[Ho6 Tl6 Te6]'
_cell_volume [1442.2938]
_cell_formula_units_Z [6]
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  0.0870  0.3932  0.7931  1
  Ho  Ho1  2  0.0000  0.2478  0.4300  1
  Tl  Tl2  4  0.1341  0.1269  0.1265  1
  Tl  Tl3  2  0.0000  0.3826  0.0898  1
  Te  Te4  4  0.1456  0.3186  0.4698  1
  Te  Te5  2  0.0000  0.0779  0.7509  1
]