data_[Pr2Nd12Hg4]
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 [C2/m]
_cell_length_a [13.0595]
_cell_length_b [3.8348]
_cell_length_c [12.3632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr(Nd3Hg)2]
_chemical_formula_sum '[Pr2 Nd12 Hg4]'
_cell_volume [586.4602]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  4  0.0204  0.0000  0.3383  1.0
  Nd  Nd2  4  0.1863  0.5000  0.8756  1.0
  Nd  Nd3  4  0.1889  0.5000  0.5878  1.0
  Hg  Hg4  4  0.1447  0.5000  0.2054  1.0
]