data_[Na2Hg4As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.2563]
_cell_length_b [8.7034]
_cell_length_c [6.1750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaHg2AsS4]
_chemical_formula_sum '[Na2 Hg4 As2 S8]'
_cell_volume [443.7244]
_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  0.1287  0.5524  1.0
  Hg  Hg1  4  0.2134  0.3484  0.0344  1.0
  As  As2  2  0.0000  0.7792  0.0117  1.0
  S  S3  4  0.2296  0.6388  0.0825  1.0
  S  S4  2  0.0000  0.1507  0.0629  1.0
  S  S5  2  0.0000  0.7803  0.6394  1.0
]