data_[Y10Tm8Tl8]
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 [I4/m]
_cell_length_a [12.2660]
_cell_length_b [12.2660]
_cell_length_c [5.0101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Y5(TmTl)4]
_chemical_formula_sum '[Y10 Tm8 Tl8]'
_cell_volume [753.7952]
_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  0.1030  0.1888  0.5000  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Tm  Tm2  8  0.0960  0.3994  0.0000  1
  Tl  Tl3  8  0.0993  0.7633  0.0000  1
]