data_[Y2Tl4Ag2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [8.0592]
_cell_length_b [8.6181]
_cell_length_c [13.9665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YTl2AgI6]
_chemical_formula_sum '[Y2 Tl4 Ag2 I12]'
_cell_volume [799.4753]
_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
[
  Y  Y0  2  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.2908  0.0946  0.2557  1
  Ag  Ag2  2  0.5000  0.0000  0.0000  1
  I  I3  4  0.1391  0.0215  0.7530  1
  I  I4  4  0.2354  0.6982  0.5528  1
  I  I5  4  0.3620  0.1888  0.5526  1
]