data_[La4Nd4Tm20Th8]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.9035]
_cell_length_b [8.9035]
_cell_length_c [15.1115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [LaNdTm5Th2]
_chemical_formula_sum '[La4 Nd4 Tm20 Th8]'
_cell_volume [1197.9326]
_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
  Nd  Nd1  4  0.0000  0.5000  0.2500  1
  Tm  Tm2  16  0.2053  0.2947  0.3648  1
  Tm  Tm3  4  0.0000  0.0000  0.0000  1
  Th  Th4  8  0.1185  0.3815  0.0000  1
]