data_[Nd16Tl8Hg6]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7917]
_cell_length_b [12.7031]
_cell_length_c [7.6102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Tl4Hg3]
_chemical_formula_sum '[Nd16 Tl8 Hg6]'
_cell_volume [998.4465]
_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  4  0.0000  0.2523  0.5000  1
  Nd  Nd1  4  0.0000  0.2944  0.0000  1
  Nd  Nd2  4  0.2370  0.5000  0.4839  1
  Nd  Nd3  4  0.2388  0.5000  0.9960  1
  Tl  Tl4  4  0.2500  0.2500  0.0000  1
  Tl  Tl5  2  0.0000  0.0000  0.0000  1
  Tl  Tl6  2  0.0000  0.0000  0.5000  1
  Hg  Hg7  4  0.2500  0.2500  0.5000  1
  Hg  Hg8  2  0.0000  0.5000  0.5000  1
]