data_[Na4Pr2Hg2Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6587]
_cell_length_b [9.4104]
_cell_length_c [8.4989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na2PrHgBi2]
_chemical_formula_sum '[Na4 Pr2 Hg2 Bi4]'
_cell_volume [372.5907]
_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
[
  Na  Na0  2  0.0000  0.1711  0.3801  1.0
  Na  Na1  2  0.5000  0.0711  0.0609  1.0
  Pr  Pr2  2  0.0000  0.4516  0.9704  1.0
  Hg  Hg3  2  0.5000  0.3024  0.6189  1.0
  Bi  Bi4  2  0.0000  0.1533  0.7738  1.0
  Bi  Bi5  2  0.5000  0.3890  0.2415  1.0
]