data_[Hg8Sb4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7053]
_cell_length_b [7.6205]
_cell_length_c [9.9603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hg2SbSe]
_chemical_formula_sum '[Hg8 Sb4 Se4]'
_cell_volume [577.0722]
_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
[
  Hg  Hg0  4  0.0365  0.1846  0.2354  1
  Hg  Hg1  4  0.4891  0.6925  0.7454  1
  Sb  Sb2  4  0.1423  0.5518  0.9747  1
  Se  Se3  4  0.3003  0.0651  0.1002  1
]