data_[Pr6In8Hg4]
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 [11.5928]
_cell_length_b [4.9701]
_cell_length_c [9.4566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(In2Hg)2]
_chemical_formula_sum '[Pr6 In8 Hg4]'
_cell_volume [492.8159]
_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  4  0.1695  0.5000  0.6605  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.0377  0.0000  0.3703  1
  In  In3  4  0.2320  0.5000  0.0677  1
  Hg  Hg4  4  0.1242  0.5000  0.2922  1
]