data_[La4Sm8Tm20Sc4]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.6747]
_cell_length_b [8.6747]
_cell_length_c [15.0221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [LaSm2Tm5Sc]
_chemical_formula_sum '[La4 Sm8 Tm20 Sc4]'
_cell_volume [1130.4223]
_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  0.0000  0.2500  1
  Sm  Sm1  8  0.1178  0.6178  0.5000  1
  Tm  Tm2  16  0.2036  0.2964  0.3626  1
  Tm  Tm3  4  0.0000  0.0000  0.0000  1
  Sc  Sc4  4  0.0000  0.5000  0.2500  1
]