data_[La18Nd3Tm36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.2862]
_cell_length_b [13.2862]
_cell_length_c [12.6557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La6NdTm12]
_chemical_formula_sum '[La18 Nd3 Tm36]'
_cell_volume [1934.7200]
_cell_formula_units_Z [3]
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  18  0.0359  0.5179  0.6162  1
  Nd  Nd1  3  0.0000  0.0000  0.0000  1
  Tm  Tm2  18  0.0000  0.2531  0.5000  1
  Tm  Tm3  18  0.0918  0.1837  0.2628  1
]