data_[Nd2Ho16Tl4]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8053]
_cell_length_b [6.8397]
_cell_length_c [5.3248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd(Ho4Tl)2]
_chemical_formula_sum '[Nd2 Ho16 Tl4]'
_cell_volume [683.5608]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.0000  1
  Ho  Ho1  8  0.1316  0.2587  0.7284  1
  Ho  Ho2  4  0.0478  0.5000  0.2384  1
  Ho  Ho3  4  0.1987  0.0000  0.2350  1
  Tl  Tl4  4  0.2135  0.5000  0.2442  1
]