data_[Y12Tl4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6382]
_cell_length_b [6.7834]
_cell_length_c [12.4155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y6Tl2O]
_chemical_formula_sum '[Y12 Tl4 O2]'
_cell_volume [473.9656]
_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  4  0.1693  0.1844  0.4800  1.0
  Y  Y1  4  0.3025  0.6930  0.4835  1.0
  Y  Y2  4  0.3170  0.5162  0.7543  1.0
  Tl  Tl3  4  0.2020  0.0637  0.7502  1.0
  O  O4  2  0.5000  0.0000  0.5000  1.0
]