data_[Ag1Hg1Bi2Se4]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2058]
_cell_length_b [4.2441]
_cell_length_c [7.3230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [AgHg(BiSe2)2]
_chemical_formula_sum '[Ag1 Hg1 Bi2 Se4]'
_cell_volume [211.0115]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  1  0.5000  0.0000  0.5000  1.0
  Bi  Bi3  1  0.5000  0.5000  0.0000  1.0
  Se  Se4  2  0.2457  0.0000  0.7427  1.0
  Se  Se5  2  0.2488  0.5000  0.2555  1.0
]