data_[Ag4Hg4As4Se12]
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 [Cc]
_cell_length_a [7.1368]
_cell_length_b [11.9955]
_cell_length_c [8.1875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [AgHgAsSe3]
_chemical_formula_sum '[Ag4 Hg4 As4 Se12]'
_cell_volume [638.3974]
_cell_formula_units_Z [4]
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  4  0.4960  0.4770  0.7471  1.0
  Hg  Hg1  4  0.4619  0.1892  0.2054  1.0
  As  As2  4  0.4809  0.1425  0.7156  1.0
  Se  Se3  4  0.0340  0.2119  0.0235  1.0
  Se  Se4  4  0.0798  0.4865  0.5785  1.0
  Se  Se5  4  0.1068  0.1233  0.5623  1.0
]