data_[Y6Tl2O2]
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/m]
_cell_length_a [5.6603]
_cell_length_b [6.5640]
_cell_length_c [6.4582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3TlO]
_chemical_formula_sum '[Y6 Tl2 O2]'
_cell_volume [239.5410]
_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  0.2470  0.0024  0.8697  1.0
  Y  Y1  2  0.2740  0.2500  0.3709  1.0
  Tl  Tl2  2  0.2224  0.7500  0.3597  1.0
  O  O3  2  0.4668  0.2500  0.0737  1.0
]