data_Hg2SeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2SeCl
_chemical_formula_sum   'Hg2 Se1 Cl1'
_cell_volume   112.1
_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  Hg1  1  0.19  0.0  0.06  1.0
  Hg  Hg2  1  0.0  0.0  0.43  1.0
  Se  Se3  1  0.19  0.0  0.05  1.0
  Cl  Cl0  1  0.0  0.0  0.67  1.0

data_Hg2SeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2SeCl
_chemical_formula_sum   'Hg2 Se1 Cl1'
_cell_volume   112.1
_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  0.43  1.0
  Hg  Hg1  1  0.19  0.0  0.06  1.0
  Se  Se2  1  0.19  0.0  0.05  1.0
  Cl  Cl3  1  0.0  0.0  0.67  1.0

Hg Hg Se Cl