data_[La4Tm16Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6114]
_cell_length_b [5.3424]
_cell_length_c [6.7256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tm8Al]
_chemical_formula_sum '[La4 Tm16 Al2]'
_cell_volume [667.0727]
_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
[
  La  La0  4  0.2216  0.0000  0.6661  1
  Tm  Tm1  4  0.0339  0.0000  0.7577  1
  Tm  Tm2  4  0.0862  0.5000  0.4108  1
  Tm  Tm3  4  0.1536  0.5000  0.9034  1
  Tm  Tm4  4  0.1568  0.0000  0.1691  1
  Al  Al5  2  0.0000  0.5000  0.0000  1
]