data_[Si2Hg2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4565]
_cell_length_b [7.1692]
_cell_length_c [8.1909]
_cell_angle_alpha [107.5506]
_cell_angle_beta [91.6590]
_cell_angle_gamma [115.7261]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SiHgSe3]
_chemical_formula_sum '[Si2 Hg2 Se6]'
_cell_volume [319.9711]
_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
[
  Si  Si0  2  0.0846  0.1772  0.1730  1.0
  Hg  Hg1  2  0.3084  0.6079  0.6220  1.0
  Se  Se2  2  0.1097  0.8424  0.5951  1.0
  Se  Se3  2  0.1452  0.8700  0.0731  1.0
  Se  Se4  2  0.4221  0.5082  0.2465  1.0
]