data_[Pr2In4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5236]
_cell_length_b [15.7745]
_cell_length_c [4.9216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr(InHg3)2]
_chemical_formula_sum '[Pr2 In4 Hg12]'
_cell_volume [470.5570]
_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
  In  In1  4  0.0000  0.1605  0.5000  1
  Hg  Hg2  8  0.1703  0.3330  0.8250  1
  Hg  Hg3  4  0.1446  0.5000  0.3198  1
]