data_[Ho2Tl4Ag2I12]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0508]
_cell_length_b [8.6006]
_cell_length_c [13.9557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HoTl2AgI6]
_chemical_formula_sum '[Ho2 Tl4 Ag2 I12]'
_cell_volume [796.3981]
_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  0.5000  1
  Tl  Tl1  4  0.2901  0.0947  0.2554  1
  Ag  Ag2  2  0.5000  0.0000  0.0000  1
  I  I3  4  0.1394  0.0205  0.7522  1
  I  I4  4  0.2345  0.6993  0.5521  1
  I  I5  4  0.3603  0.1884  0.5521  1
]