data_[Nd5Tl1Hg4]
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 [P4/mmm]
_cell_length_a [3.7301]
_cell_length_b [3.7301]
_cell_length_c [20.4867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Nd5TlHg4]
_chemical_formula_sum '[Nd5 Tl1 Hg4]'
_cell_volume [285.0499]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.1045  1.0
  Nd  Nd1  2  0.5000  0.5000  0.3020  1.0
  Nd  Nd2  1  0.5000  0.5000  0.5000  1.0
  Tl  Tl3  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.2041  1.0
  Hg  Hg5  2  0.0000  0.0000  0.4011  1.0
]