data_[Ce2Sm20Tm8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [9.7343]
_cell_length_b [9.7343]
_cell_length_c [10.6215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ce(Sm5Tm2)2]
_chemical_formula_sum '[Ce2 Sm20 Tm8]'
_cell_volume [1006.4633]
_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  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  16  0.1154  0.2146  0.3441  1
  Sm  Sm2  4  0.0000  0.5000  0.2500  1
  Tm  Tm3  8  0.0635  0.3341  0.0000  1
]