data_[Na1U1Hg2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  U  1.3800  1.7500  0.9913
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4192]
_cell_length_b [6.8546]
_cell_length_c [7.4604]
_cell_angle_alpha [76.9261]
_cell_angle_beta [69.4327]
_cell_angle_gamma [70.4568]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaU(HgSe3)2]
_chemical_formula_sum '[Na1 U1 Hg2 Se6]'
_cell_volume [287.4311]
_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  0.1418  0.1776  0.5012  1
  U  U1  1  0.6564  0.6690  0.9948  1
  Hg  Hg2  1  0.0354  0.9357  0.0385  1
  Hg  Hg3  1  0.5416  0.5603  0.4849  1
  Se  Se4  1  0.0185  0.7703  0.7228  1
  Se  Se5  1  0.2791  0.5632  0.2600  1
  Se  Se6  1  0.4229  0.0044  0.8020  1
  Se  Se7  1  0.6121  0.9282  0.2505  1
  Se  Se8  1  0.6919  0.3848  0.7724  1
  Se  Se9  1  0.9386  0.3449  0.1576  1
]