data_[Pr4Nd24Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [13.1774]
_cell_length_b [13.4245]
_cell_length_c [7.2811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr(Nd2Hg)3]
_chemical_formula_sum '[Pr4 Nd24 Hg12]'
_cell_volume [1288.0298]
_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
[
  Pr  Pr0  4  0.0000  0.3056  0.6623  1.0
  Nd  Nd1  8  0.2037  0.4811  0.1343  1.0
  Nd  Nd2  8  0.2122  0.2080  0.3367  1.0
  Nd  Nd3  4  0.0000  0.0508  0.5557  1.0
  Nd  Nd4  4  0.0000  0.2831  0.1341  1.0
  Hg  Hg5  8  0.1313  0.1230  0.9024  1.0
  Hg  Hg6  4  0.0000  0.4866  0.3865  1.0
]