data_[Nd24Hg4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1979]
_cell_length_b [14.0068]
_cell_length_c [21.5931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd6HgSe4]
_chemical_formula_sum '[Nd24 Hg4 Se16]'
_cell_volume [1269.6612]
_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  0.0000  0.0466  0.1635  1
  Nd  Nd1  8  0.0000  0.2269  0.5837  1
  Nd  Nd2  4  0.0000  0.3307  0.2500  1
  Nd  Nd3  4  0.0000  0.5000  0.0000  1
  Hg  Hg4  4  0.0000  0.3379  0.7500  1
  Se  Se5  8  0.0000  0.1375  0.0407  1
  Se  Se6  8  0.0000  0.4096  0.1244  1
]