data_[Pr2Sn2Hg6]
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 [Pm]
_cell_length_a [3.6649]
_cell_length_b [5.0750]
_cell_length_c [14.5224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [PrSnHg3]
_chemical_formula_sum '[Pr2 Sn2 Hg6]'
_cell_volume [268.2059]
_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  1  0.1420  0.5000  0.9569  1
  Pr  Pr1  1  0.2824  0.0000  0.2545  1
  Sn  Sn2  1  0.0163  0.0000  0.6747  1
  Sn  Sn3  1  0.8325  0.5000  0.3576  1
  Hg  Hg4  1  0.1570  0.0000  0.4712  1
  Hg  Hg5  1  0.4657  0.5000  0.7532  1
  Hg  Hg6  1  0.6287  0.0000  0.8553  1
  Hg  Hg7  1  0.6362  0.5000  0.5568  1
  Hg  Hg8  1  0.6979  0.0000  0.0567  1
  Hg  Hg9  1  0.7280  0.5000  0.1536  1
]