data_[Y10Tl2Pb8]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.8841]
_cell_length_b [9.8841]
_cell_length_c [6.3525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Y5TlPb4]
_chemical_formula_sum '[Y10 Tl2 Pb8]'
_cell_volume [620.6010]
_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  8  0.0969  0.3163  0.0322  1
  Y  Y1  2  0.0000  0.0000  0.3699  1
  Tl  Tl2  2  0.0000  0.0000  0.8592  1
  Pb  Pb3  8  0.1072  0.2867  0.5330  1
]