data_HfHgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   139.34
_cell_angle_beta   139.34
_cell_angle_gamma   58.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHgSe2
_chemical_formula_sum   'Hf1 Hg1 Se2'
_cell_volume   83.74
_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
  Hf  Hf0  1  0.0  0.0  0.09  1.0
  Hg  Hg1  1  0.0  0.03  0.54  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.03  0.0  0.54  1.0

data_HfHgSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.84
_cell_angle_alpha   110.33
_cell_angle_beta   110.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHgSe2
_chemical_formula_sum   'Hf1 Hg1 Se2'
_cell_volume   83.74
_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
  Hf  Hf0  1  0.09  0.09  0.09  1.0
  Hg  Hg1  1  0.51  0.54  0.51  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.54  0.51  0.51  1.0

Hf Hg Se Se