data_[Y2Tm12Tl4]
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 [C2/m]
_cell_length_a [12.6539]
_cell_length_b [3.6749]
_cell_length_c [11.9244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y(Tm3Tl)2]
_chemical_formula_sum '[Y2 Tm12 Tl4]'
_cell_volume [526.0379]
_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  0.0000  0.0000  1.0
  Tm  Tm1  4  0.0135  0.0000  0.3457  1.0
  Tm  Tm2  4  0.1842  0.5000  0.8753  1.0
  Tm  Tm3  4  0.1879  0.5000  0.5826  1.0
  Tl  Tl4  4  0.1428  0.5000  0.2096  1.0
]