data_[Nd4Tm16Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [14.7547]
_cell_length_b [9.2049]
_cell_length_c [6.5807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Tm8Th3]
_chemical_formula_sum '[Nd4 Tm16 Th6]'
_cell_volume [880.2124]
_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
[
  Nd  Nd0  4  0.2198  0.0000  0.8045  1
  Tm  Tm1  8  0.1122  0.3210  0.4394  1
  Tm  Tm2  4  0.0786  0.5000  0.8634  1
  Tm  Tm3  4  0.1968  0.0000  0.2922  1
  Th  Th4  4  0.0000  0.1705  0.0000  1
  Th  Th5  2  0.0000  0.0000  0.5000  1
]