data_[Nd12Cd4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4258]
_cell_length_b [20.3116]
_cell_length_c [5.4227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3CdHg]
_chemical_formula_sum '[Nd12 Cd4 Hg4]'
_cell_volume [597.6188]
_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  4  0.0000  0.0621  0.2500  1
  Nd  Nd1  4  0.0000  0.2503  0.2500  1
  Nd  Nd2  4  0.0000  0.4396  0.2500  1
  Cd  Cd3  4  0.0000  0.3473  0.7500  1
  Hg  Hg4  4  0.0000  0.1528  0.7500  1
]