data_[Ho12Tl2Si4Te6]
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
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7897]
_cell_length_b [4.2065]
_cell_length_c [8.7262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6TlSi2Te3]
_chemical_formula_sum '[Ho12 Tl2 Si4 Te6]'
_cell_volume [667.1264]
_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  4  0.0101  0.0000  0.2567  1
  Ho  Ho1  4  0.1689  0.5000  0.1088  1
  Ho  Ho2  4  0.1750  0.5000  0.5640  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  Si  Si4  4  0.1673  0.0000  0.3338  1
  Te  Te5  4  0.1640  0.0000  0.8311  1
  Te  Te6  2  0.0000  0.5000  0.5000  1
]