data_[Nd8Y4Tm16]
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 [C2]
_cell_length_a [15.9352]
_cell_length_b [6.0153]
_cell_length_c [12.1716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.4998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Nd2YTm4]
_chemical_formula_sum '[Nd8 Y4 Tm16]'
_cell_volume [900.2668]
_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  4  0.2148  0.7212  0.3612  1.0
  Nd  Nd1  2  0.0000  0.2547  0.5000  1.0
  Nd  Nd2  2  0.0000  0.5636  0.0000  1.0
  Y  Y3  4  0.2157  0.1057  0.8641  1.0
  Tm  Tm4  4  0.0637  0.1756  0.2743  1.0
  Tm  Tm5  4  0.0658  0.6422  0.7755  1.0
  Tm  Tm6  4  0.1455  0.7464  0.5784  1.0
  Tm  Tm7  4  0.1471  0.0768  0.0795  1.0
]