data_[Ag2Hg4As2Se8]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.6309]
_cell_length_b [8.0656]
_cell_length_c [6.8142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AgHg2AsSe4]
_chemical_formula_sum '[Ag2 Hg4 As2 Se8]'
_cell_volume [474.3650]
_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  0.8632  0.4866  1.0
  Hg  Hg1  4  0.2402  0.6612  0.0000  1.0
  As  As2  2  0.0000  0.1761  0.9839  1.0
  Se  Se3  4  0.2498  0.3343  0.9009  1.0
  Se  Se4  2  0.0000  0.1753  0.3511  1.0
  Se  Se5  2  0.0000  0.8368  0.8766  1.0
]