data_[La4Tm4Al12]
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 [Cmcm]
_cell_length_a [4.1859]
_cell_length_b [26.8055]
_cell_length_c [4.4179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaTmAl3]
_chemical_formula_sum '[La4 Tm4 Al12]'
_cell_volume [495.7070]
_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
[
  La  La0  4  0.0000  0.0750  0.2500  1.0
  Tm  Tm1  4  0.0000  0.2068  0.7500  1.0
  Al  Al2  4  0.0000  0.3228  0.7500  1.0
  Al  Al3  4  0.0000  0.3773  0.2500  1.0
  Al  Al4  4  0.0000  0.4754  0.2500  1.0
]