data_[Ho2Zr4Tl6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2621]
_cell_length_b [12.5775]
_cell_length_c [8.7792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoZr2(TlTe2)3]
_chemical_formula_sum '[Ho2 Zr4 Tl6 Te12]'
_cell_volume [770.8494]
_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  0.0000  0.0000  0.0000  1.0
  Zr  Zr1  4  0.0000  0.3321  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1614  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.2419  0.1711  0.2110  1.0
  Te  Te5  4  0.2258  0.5000  0.2070  1.0
]