data_[Pr24Ni8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.4929]
_cell_length_b [10.2132]
_cell_length_c [10.4607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr6Ni2Hg]
_chemical_formula_sum '[Pr24 Ni8 Hg4]'
_cell_volume [1014.1985]
_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  8  0.0000  0.2015  0.2274  1.0
  Pr  Pr1  8  0.1932  0.5000  0.1754  1.0
  Pr  Pr2  8  0.2055  0.3192  0.5000  1.0
  Ni  Ni3  4  0.0000  0.3629  0.0000  1.0
  Ni  Ni4  4  0.0000  0.5000  0.3795  1.0
  Hg  Hg5  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5000  1.0
]