data_[Tm20Tl4Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6526]
_cell_length_b [7.6526]
_cell_length_c [14.1212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Tm5TlGa2]
_chemical_formula_sum '[Tm20 Tl4 Ga8]'
_cell_volume [826.9753]
_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  16  0.1650  0.3350  0.3559  1.0
  Tm  Tm1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.0000  0.2500  1.0
  Ga  Ga3  8  0.1261  0.6261  0.5000  1.0
]