data_[Ho6Tl1Te8]
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 [P-3]
_cell_length_a [11.6576]
_cell_length_b [11.6576]
_cell_length_c [4.3963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ho6TlTe8]
_chemical_formula_sum '[Ho6 Tl1 Te8]'
_cell_volume [517.4096]
_cell_formula_units_Z [1]
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  6  0.1345  0.4848  0.2506  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Te  Te2  6  0.0452  0.6952  0.2500  1.0
  Te  Te3  2  0.3333  0.6667  0.7510  1.0
]