data_[Tb2Nd6Tm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.1110]
_cell_length_b [3.4811]
_cell_length_c [14.2312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(NdTm2)3]
_chemical_formula_sum '[Tb2 Nd6 Tm12]'
_cell_volume [640.0230]
_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
[
  Tb  Tb0  2  0.0429  0.7500  0.7200  1.0
  Nd  Nd1  2  0.0710  0.7500  0.0996  1.0
  Nd  Nd2  2  0.3720  0.2500  0.4940  1.0
  Nd  Nd3  2  0.4202  0.7500  0.9016  1.0
  Tm  Tm4  2  0.1192  0.7500  0.4834  1.0
  Tm  Tm5  2  0.1946  0.2500  0.9264  1.0
  Tm  Tm6  2  0.2208  0.2500  0.2873  1.0
  Tm  Tm7  2  0.2692  0.2500  0.6969  1.0
  Tm  Tm8  2  0.3465  0.7500  0.1252  1.0
  Tm  Tm9  2  0.4993  0.7500  0.6900  1.0
]