data_[Nd2Y3Tm9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3771]
_cell_length_b [8.3338]
_cell_length_c [8.8429]
_cell_angle_alpha [87.7022]
_cell_angle_beta [82.9789]
_cell_angle_gamma [71.0682]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd2(YTm3)3]
_chemical_formula_sum '[Nd2 Y3 Tm9]'
_cell_volume [441.2065]
_cell_formula_units_Z [1]
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  1  0.3781  0.7051  0.8808  1
  Nd  Nd1  1  0.5286  0.3560  0.0777  1
  Y  Y2  1  0.1812  0.2528  0.3303  1
  Y  Y3  1  0.8500  0.7402  0.6733  1
  Y  Y4  1  0.9968  0.0487  0.0467  1
  Tm  Tm5  1  0.1300  0.6892  0.2965  1
  Tm  Tm6  1  0.3037  0.9033  0.5456  1
  Tm  Tm7  1  0.3284  0.4385  0.6279  1
  Tm  Tm8  1  0.4549  0.0921  0.8324  1
  Tm  Tm9  1  0.5667  0.8748  0.1676  1
  Tm  Tm10  1  0.6889  0.5275  0.3844  1
  Tm  Tm11  1  0.7244  0.0952  0.4257  1
  Tm  Tm12  1  0.8846  0.2846  0.7078  1
  Tm  Tm13  1  0.9835  0.4920  0.0034  1
]