data_Hf2TcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   132.19
_cell_angle_beta   123.85
_cell_angle_gamma   76.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TcHg
_chemical_formula_sum   'Hf2 Tc1 Hg1'
_cell_volume   77.54
_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  0.38  0.19  1.0
  Hf  Hf1  1  0.05  0.0  0.78  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.97  1.0

data_Hf2TcHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.76
_cell_length_c   5.06
_cell_angle_alpha   118.08
_cell_angle_beta   113.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TcHg
_chemical_formula_sum   'Hf2 Tc1 Hg1'
_cell_volume   77.54
_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  0.27  0.22  0.27  1.0
  Hf  Hf1  1  0.81  0.2  0.2  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.03  0.03  0.03  1.0

Hf Hf Tc Hg