data_[Y12Tm8Tl4]
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 [Cmcm]
_cell_length_a [17.3085]
_cell_length_b [6.1027]
_cell_length_c [7.0706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y3Tm2Tl]
_chemical_formula_sum '[Y12 Tm8 Tl4]'
_cell_volume [746.8618]
_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  0.1389  0.0000  0.0000  1.0
  Y  Y1  4  0.0000  0.3302  0.2500  1.0
  Tm  Tm2  8  0.1883  0.4846  0.7500  1.0
  Tl  Tl3  4  0.0000  0.1859  0.7500  1.0
]