data_[Nd4Y24Tm16]
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 [Cmcm]
_cell_length_a [5.6444]
_cell_length_b [9.7227]
_cell_length_c [25.7207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd(Y3Tm2)2]
_chemical_formula_sum '[Nd4 Y24 Tm16]'
_cell_volume [1411.5146]
_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  0.0000  0.1708  0.7500  1
  Y  Y1  8  0.0000  0.1617  0.1801  1
  Y  Y2  8  0.0000  0.1713  0.6007  1
  Y  Y3  4  0.0000  0.4956  0.2500  1
  Y  Y4  4  0.0000  0.5000  0.0000  1
  Tm  Tm5  8  0.0000  0.1649  0.0416  1
  Tm  Tm6  8  0.0000  0.4942  0.1211  1
]