data_[Nd24Ag4Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9653]
_cell_length_b [10.6745]
_cell_length_c [8.4148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd12Ag2Hg5]
_chemical_formula_sum '[Nd24 Ag4 Hg10]'
_cell_volume [1138.6189]
_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  8  0.1074  0.2778  0.3933  1.0
  Nd  Nd1  8  0.1646  0.1711  0.8168  1.0
  Nd  Nd2  4  0.0998  0.0000  0.1565  1.0
  Nd  Nd3  4  0.1075  0.5000  0.7402  1.0
  Ag  Ag4  4  0.0000  0.2730  0.0000  1.0
  Hg  Hg5  4  0.1255  0.5000  0.1227  1.0
  Hg  Hg6  4  0.2321  0.0000  0.5116  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]