data_[Tm16Al4Ga2]
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 [C2/m]
_cell_length_a [18.1274]
_cell_length_b [4.9757]
_cell_length_c [6.6340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Al2Ga]
_chemical_formula_sum '[Tm16 Al4 Ga2]'
_cell_volume [581.9638]
_cell_formula_units_Z [2]
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  4  0.0222  0.0000  0.7689  1.0
  Tm  Tm1  4  0.0935  0.5000  0.4599  1.0
  Tm  Tm2  4  0.1559  0.5000  0.9676  1.0
  Tm  Tm3  4  0.2070  0.0000  0.3008  1.0
  Al  Al4  4  0.1876  0.0000  0.7421  1.0
  Ga  Ga5  2  0.0000  0.5000  0.0000  1.0
]