data_HgSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   3.0
_cell_angle_alpha   94.5
_cell_angle_beta   94.5
_cell_angle_gamma   126.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSbSe2
_chemical_formula_sum   'Hg1 Sb1 Se2'
_cell_volume   98.05
_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
  Hg  Hg0  1  0.89  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.18  0.87  0.48  1.0
  Se  Se3  1  0.18  0.13  0.48  1.0

data_HgSbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.78
_cell_length_c   6.43
_cell_angle_alpha   63.33
_cell_angle_beta   85.5
_cell_angle_gamma   79.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSbSe2
_chemical_formula_sum   'Hg1 Sb1 Se2'
_cell_volume   98.05
_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
  Hg  Hg0  1  0.0  0.0  0.89  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.52  0.13  0.06  1.0
  Se  Se3  1  0.52  0.87  0.31  1.0

Hg Sb Se Se