data_ZrAgHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   143.07
_cell_angle_beta   128.59
_cell_angle_gamma   64.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgHg2
_chemical_formula_sum   'Zr1 Ag1 Hg2'
_cell_volume   86.05
_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
  Zr  Zr3  1  0.0  0.0  0.79  1.0
  Ag  Ag0  1  0.0  0.47  0.41  1.0
  Hg  Hg1  1  0.0  0.0  0.01  1.0
  Hg  Hg2  1  0.81  0.0  0.4  1.0

data_ZrAgHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.95
_cell_length_c   5.7
_cell_angle_alpha   115.71
_cell_angle_beta   108.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgHg2
_chemical_formula_sum   'Zr1 Ag1 Hg2'
_cell_volume   86.05
_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
  Zr  Zr0  1  0.0  0.79  0.79  1.0
  Ag  Ag1  1  0.53  0.94  0.94  1.0
  Hg  Hg2  1  0.0  0.01  0.01  1.0
  Hg  Hg3  1  0.0  0.4  0.6  1.0

Zr Ag Hg Hg