data_Hg2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   129.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2SbSe
_chemical_formula_sum   'Hg2 Sb1 Se1'
_cell_volume   107.11
_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  0.46  0.09  0.49  1.0
  Hg  Hg1  1  0.46  0.91  0.49  1.0
  Sb  Sb2  1  0.92  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Hg2SbSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.84
_cell_length_b   2.97
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   115.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hg2SbSe
_chemical_formula_sum   'Hg2 Sb1 Se1'
_cell_volume   107.11
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.09  0.5  0.63  1.0
  Hg  Hg1  1  0.91  0.5  0.45  1.0
  Sb  Sb2  1  0.0  0.0  0.08  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Hg Hg Sb Se