data_[Cu2Ag2Hg2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [P2/c]
_cell_length_a [6.7439]
_cell_length_b [6.5575]
_cell_length_c [5.5167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CuAgHgSe2]
_chemical_formula_sum '[Cu2 Ag2 Hg2 Se4]'
_cell_volume [243.7541]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  2  0.0000  0.3900  0.7500  1.0
  Hg  Hg2  2  0.5000  0.2338  0.7500  1.0
  Se  Se3  4  0.2365  0.2469  0.4053  1.0
]