data_HfHg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   4.01
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   104.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHg2Te
_chemical_formula_sum   'Hf1 Hg2 Te1'
_cell_volume   101.05
_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
  Hf  Hf0  1  0.89  0.01  0.61  1.0
  Hg  Hg1  1  0.79  0.0  0.13  1.0
  Hg  Hg2  1  0.7  0.01  0.52  1.0
  Te  Te3  1  0.82  0.0  0.61  1.0

data_HfHg2Te
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.83
_cell_length_b   4.01
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   104.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfHg2Te
_chemical_formula_sum   'Hf1 Hg2 Te1'
_cell_volume   101.05
_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
  Hf  Hf0  1  0.89  0.0  0.61  1.0
  Hg  Hg1  1  0.7  0.0  0.52  1.0
  Hg  Hg2  1  0.79  0.0  0.13  1.0
  Te  Te3  1  0.82  0.0  0.61  1.0

Hf Hg Hg Te