data_[La6Tm8Al8]
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 [Immm]
_cell_length_a [5.0561]
_cell_length_b [7.5084]
_cell_length_c [16.5749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3(TmAl)4]
_chemical_formula_sum '[La6 Tm8 Al8]'
_cell_volume [629.2383]
_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  0.0000  0.0000  0.1107  1.0
  La  La1  2  0.0000  0.5000  0.0000  1.0
  Tm  Tm2  8  0.0000  0.2164  0.6760  1.0
  Al  Al3  4  0.0000  0.3200  0.5000  1.0
  Al  Al4  4  0.0000  0.5000  0.1964  1.0
]