data_[Ho12Tl2Te6]
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 [P2_1/m]
_cell_length_a [12.0804]
_cell_length_b [4.0208]
_cell_length_c [12.7674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho6TlTe3]
_chemical_formula_sum '[Ho12 Tl2 Te6]'
_cell_volume [601.5119]
_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  2  0.0555  0.2500  0.8814  1.0
  Ho  Ho1  2  0.1201  0.7500  0.4663  1.0
  Ho  Ho2  2  0.2132  0.2500  0.2436  1.0
  Ho  Ho3  2  0.2513  0.2500  0.7031  1.0
  Ho  Ho4  2  0.4197  0.7500  0.1169  1.0
  Ho  Ho5  2  0.4857  0.7500  0.6502  1.0
  Tl  Tl6  2  0.0386  0.7500  0.6890  1.0
  Te  Te7  2  0.1646  0.7500  0.0536  1.0
  Te  Te8  2  0.3307  0.2500  0.4882  1.0
  Te  Te9  2  0.3870  0.7500  0.8635  1.0
]