data_[Tm2Al3Ga3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.2372]
_cell_length_b [4.2553]
_cell_length_c [8.3761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Tm2(AlGa)3]
_chemical_formula_sum '[Tm2 Al3 Ga3]'
_cell_volume [151.0244]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2533  1
  Al  Al1  2  0.5000  0.5000  0.2470  1
  Al  Al2  1  0.0000  0.5000  0.0000  1
  Ga  Ga3  1  0.0000  0.5000  0.5000  1
  Ga  Ga4  1  0.5000  0.0000  0.0000  1
  Ga  Ga5  1  0.5000  0.0000  0.5000  1
]