data_[Nd4Ho8Tm16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [15.7101]
_cell_length_b [5.9833]
_cell_length_c [12.0332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.3181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Nd(HoTm2)2]
_chemical_formula_sum '[Nd4 Ho8 Tm16]'
_cell_volume [875.0603]
_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  0.2162  0.3490  0.3606  1.0
  Ho  Ho1  4  0.2165  0.9676  0.8630  1.0
  Ho  Ho2  2  0.0000  0.5082  0.0000  1.0
  Ho  Ho3  2  0.0000  0.8103  0.5000  1.0
  Tm  Tm4  4  0.0636  0.8971  0.2746  1.0
  Tm  Tm5  4  0.0671  0.4300  0.7775  1.0
  Tm  Tm6  4  0.1417  0.3177  0.5771  1.0
  Tm  Tm7  4  0.1443  0.9982  0.0779  1.0
]