data_HgAsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   143.31
_cell_angle_beta   138.81
_cell_angle_gamma   56.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAsSe2
_chemical_formula_sum   'Hg1 As1 Se2'
_cell_volume   97.87
_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  0.0  0.0  0.56  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.98  0.0  0.93  1.0
  Se  Se3  1  0.0  0.22  0.63  1.0

data_HgAsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.44
_cell_length_c   6.31
_cell_angle_alpha   110.59
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAsSe2
_chemical_formula_sum   'Hg1 As1 Se2'
_cell_volume   97.87
_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  0.44  0.44  0.44  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.06  0.07  0.06  1.0
  Se  Se3  1  0.37  0.58  0.58  1.0

Hg As Se Se