data_[Nd16Tl4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0304]
_cell_length_b [14.2950]
_cell_length_c [6.1995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4TlRh]
_chemical_formula_sum '[Nd16 Tl4 Rh4]'
_cell_volume [726.1320]
_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  8  0.1146  0.1841  0.5748  1.0
  Nd  Nd1  8  0.2265  0.4294  0.8415  1.0
  Tl  Tl2  4  0.0000  0.3788  0.2500  1.0
  Rh  Rh3  4  0.0000  0.0010  0.7500  1.0
]