data_[Y2Tl6Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4976]
_cell_length_b [8.2261]
_cell_length_c [12.9791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y(TlCl2)3]
_chemical_formula_sum '[Y2 Tl6 Cl12]'
_cell_volume [673.5990]
_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  0.0000  1.0
  Tl  Tl1  4  0.2895  0.0680  0.7649  1.0
  Tl  Tl2  2  0.5000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1000  0.0623  0.2262  1.0
  Cl  Cl4  4  0.2368  0.7323  0.0770  1.0
  Cl  Cl5  4  0.3367  0.1658  0.0425  1.0
]