data_[Na1Pr2Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7997]
_cell_length_b [3.7997]
_cell_length_c [11.7927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaPr2Hg3]
_chemical_formula_sum '[Na1 Pr2 Hg3]'
_cell_volume [170.2559]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.5000  0.5000  0.5000  1.0
  Pr  Pr1  2  0.5000  0.5000  0.1705  1.0
  Hg  Hg2  2  0.0000  0.0000  0.3319  1.0
  Hg  Hg3  1  0.0000  0.0000  0.0000  1.0
]