data_[Co2Ag4Hg2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.2473]
_cell_length_b [7.1722]
_cell_length_c [6.9666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CoAg2HgSe4]
_chemical_formula_sum '[Co2 Ag4 Hg2 Se8]'
_cell_volume [412.0799]
_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
[
  Co  Co0  2  0.0000  0.8267  0.0173  1
  Ag  Ag1  4  0.2472  0.3315  0.0089  1
  Hg  Hg2  2  0.0000  0.1455  0.5161  1
  Se  Se3  4  0.2244  0.6762  0.1342  1
  Se  Se4  2  0.0000  0.1270  0.1250  1
  Se  Se5  2  0.0000  0.8067  0.6906  1
]