data_[Y2Tm10Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.1540]
_cell_length_b [9.1540]
_cell_length_c [9.3649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [YTm5Tl8]
_chemical_formula_sum '[Y2 Tm10 Tl16]'
_cell_volume [784.7455]
_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  0.5000  0.7500  1.0
  Tm  Tm1  8  0.1282  0.7758  0.1075  1.0
  Tm  Tm2  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl3  8  0.0711  0.6625  0.4372  1.0
  Tl  Tl4  8  0.0973  0.8292  0.7815  1.0
]