data_ZrAgHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   123.37
_cell_angle_beta   123.37
_cell_angle_gamma   84.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgHg2
_chemical_formula_sum   'Zr1 Ag1 Hg2'
_cell_volume   82.84
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.37  0.0  0.85  1.0
  Hg  Hg1  1  0.0  0.0  0.7  1.0
  Hg  Hg2  1  0.0  0.37  0.85  1.0

data_ZrAgHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.99
_cell_angle_alpha   118.32
_cell_angle_beta   118.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgHg2
_chemical_formula_sum   'Zr1 Ag1 Hg2'
_cell_volume   82.84
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.15  0.0  0.52  1.0
  Hg  Hg2  1  0.3  0.0  0.3  1.0
  Hg  Hg3  1  0.52  0.37  0.52  1.0

Zr Ag Hg Hg