data_[Y12Tl4O24]
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 [Cmc2_1]
_cell_length_a [8.9892]
_cell_length_b [11.3110]
_cell_length_c [5.6735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y3TlO6]
_chemical_formula_sum '[Y12 Tl4 O24]'
_cell_volume [576.8595]
_cell_formula_units_Z [4]
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  8  0.1973  0.1059  0.0262  1.0
  Y  Y1  4  0.0000  0.4008  0.0816  1.0
  Tl  Tl2  4  0.0000  0.1815  0.5171  1.0
  O  O3  8  0.1604  0.4803  0.8053  1.0
  O  O4  8  0.1686  0.2690  0.2929  1.0
  O  O5  4  0.0000  0.0228  0.2859  1.0
  O  O6  4  0.0000  0.2192  0.8811  1.0
]