data_[Y12Tl2Ag6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3982]
_cell_length_b [4.9880]
_cell_length_c [12.0433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y6TlAg3]
_chemical_formula_sum '[Y12 Tl2 Ag6]'
_cell_volume [543.5490]
_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  0.1101  0.7500  0.1582  1
  Y  Y1  2  0.1318  0.2500  0.6441  1
  Y  Y2  2  0.1611  0.7500  0.8901  1
  Y  Y3  2  0.2927  0.7500  0.4807  1
  Y  Y4  2  0.3586  0.2500  0.2801  1
  Y  Y5  2  0.4814  0.2500  0.8877  1
  Tl  Tl6  2  0.0698  0.2500  0.3605  1
  Ag  Ag7  2  0.2282  0.2500  0.0274  1
  Ag  Ag8  2  0.3398  0.7500  0.7325  1
  Ag  Ag9  2  0.4549  0.2500  0.6321  1
]