data_[Tm8Ga12Ag20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.3680]
_cell_length_b [12.2797]
_cell_length_c [5.7866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tm2Ga3Ag5]
_chemical_formula_sum '[Tm8 Ga12 Ag20]'
_cell_volume [807.7820]
_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  0.1321  0.2688  0.0000  1.0
  Ga  Ga1  8  0.1325  0.3612  0.5000  1.0
  Ga  Ga2  4  0.0000  0.0000  0.2500  1.0
  Ag  Ag3  8  0.1047  0.1554  0.5000  1.0
  Ag  Ag4  8  0.2421  0.0000  0.2500  1.0
  Ag  Ag5  4  0.0000  0.5000  0.2500  1.0
]