data_HfZrHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   148.38
_cell_angle_beta   128.68
_cell_angle_gamma   61.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrHg2
_chemical_formula_sum   'Hf1 Zr1 Hg2'
_cell_volume   87.09
_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  0.63  0.0  0.56  1.0
  Zr  Zr3  1  0.0  0.0  0.13  1.0
  Hg  Hg1  1  0.0  0.0  0.27  1.0
  Hg  Hg2  1  0.0  0.59  0.63  1.0

data_HfZrHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.19
_cell_length_c   5.99
_cell_angle_alpha   115.66
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrHg2
_chemical_formula_sum   'Hf1 Zr1 Hg2'
_cell_volume   87.09
_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  0.56  0.93  1.0
  Zr  Zr1  1  0.0  0.13  0.13  1.0
  Hg  Hg2  1  0.0  0.27  0.27  1.0
  Hg  Hg3  1  0.41  0.04  0.04  1.0

Hf Zr Hg Hg
Hf Zr Hg Hg 0 3 o - - 0 3 + - o 0 3 + o + 0 1 o o o 0 1 + o + 0 0 o + + 0 2 o o o 0 2 + o + 1 2 o o o 1 3 o - - 1 3 o o o 