data_[Nd4Tl2Hg10]
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 [Pbam]
_cell_length_a [6.7889]
_cell_length_b [13.3125]
_cell_length_c [4.6908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Nd2TlHg5]
_chemical_formula_sum '[Nd4 Tl2 Hg10]'
_cell_volume [423.9413]
_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  0.2455  0.6248  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0056  0.7507  0.0000  1.0
  Hg  Hg3  4  0.2477  0.8747  0.5000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.0000  1.0
]