data_[Nd8Tm12]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9560]
_cell_length_b [6.2596]
_cell_length_c [9.2392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2Tm3]
_chemical_formula_sum '[Nd8 Tm12]'
_cell_volume [648.2247]
_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
[
  Nd  Nd0  8  0.0988  0.3307  0.9502  1.0
  Tm  Tm1  8  0.2028  0.1661  0.6506  1.0
  Tm  Tm2  4  0.0000  0.1648  0.2500  1.0
]