data_[Tm24Tl4Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.6232]
_cell_length_b [9.8315]
_cell_length_c [10.2653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm6TlAg2]
_chemical_formula_sum '[Tm24 Tl4 Ag8]'
_cell_volume [971.2065]
_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
[
  Tm  Tm0  8  0.0000  0.2835  0.3227  1.0
  Tm  Tm1  8  0.1832  0.2764  0.0000  1.0
  Tm  Tm2  8  0.2030  0.0000  0.2423  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag5  4  0.0000  0.5000  0.1333  1.0
  Ag  Ag6  4  0.1465  0.5000  0.5000  1.0
]