data_[La2Sm8Tm20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.8600]
_cell_length_b [12.8600]
_cell_length_c [6.4489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La(Sm2Tm5)2]
_chemical_formula_sum '[La2 Sm8 Tm20]'
_cell_volume [1066.5077]
_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  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  8  0.0678  0.8267  0.5000  1
  Tm  Tm2  16  0.1301  0.2931  0.2500  1
  Tm  Tm3  4  0.0000  0.5000  0.2500  1
]