data_[Ce4Tm4Al6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3146]
_cell_length_b [23.1606]
_cell_length_c [3.2168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ce2Tm2Al3]
_chemical_formula_sum '[Ce4 Tm4 Al6]'
_cell_volume [321.4528]
_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
[
  Ce  Ce0  4  0.0000  0.2880  0.5000  1
  Tm  Tm1  4  0.0000  0.4298  0.5000  1
  Al  Al2  4  0.0000  0.1373  0.0000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
]