data_[Pr24Sn4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7902]
_cell_length_b [10.1473]
_cell_length_c [11.7719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr6SnHg2]
_chemical_formula_sum '[Pr24 Sn4 Hg8]'
_cell_volume [1169.4601]
_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  0.1945  0.2312  1
  Pr  Pr1  8  0.2092  0.6920  0.5000  1
  Pr  Pr2  8  0.2173  0.5000  0.1726  1
  Sn  Sn3  2  0.0000  0.0000  0.0000  1
  Sn  Sn4  2  0.0000  0.0000  0.5000  1
  Hg  Hg5  4  0.0000  0.3491  0.0000  1
  Hg  Hg6  4  0.0000  0.5000  0.3683  1
]