data_[Ag2Hg4B2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8565]
_cell_length_b [6.7081]
_cell_length_c [6.5130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AgHg2BS4]
_chemical_formula_sum '[Ag2 Hg4 B2 S8]'
_cell_volume [343.2512]
_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
[
  Ag  Ag0  2  0.0000  0.8583  0.4907  1
  Hg  Hg1  4  0.2428  0.6942  0.0158  1
  B  B2  2  0.0000  0.1875  0.9947  1
  S  S3  4  0.2085  0.3170  0.9043  1
  S  S4  2  0.0000  0.1894  0.2925  1
  S  S5  2  0.0000  0.9191  0.8819  1
]