data_[Tm8Al8Ga4]
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 [10.6325]
_cell_length_b [4.3779]
_cell_length_c [10.3448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Al2Ga]
_chemical_formula_sum '[Tm8 Al8 Ga4]'
_cell_volume [432.0346]
_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  4  0.0077  0.0000  0.3270  1
  Tm  Tm1  4  0.1819  0.0000  0.0989  1
  Al  Al2  4  0.0270  0.5000  0.8866  1
  Al  Al3  4  0.1417  0.5000  0.5635  1
  Ga  Ga4  4  0.2198  0.5000  0.3321  1
]