data_ZrHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   5.6
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrHg2Sb
_chemical_formula_sum   'Zr1 Hg2 Sb1'
_cell_volume   95.01
_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
  Hg  Hg0  1  0.75  0.8  0.97  1.0
  Hg  Hg1  1  0.41  0.8  0.26  1.0
  Sb  Sb2  1  0.58  0.0  0.62  1.0

data_ZrHg2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.23
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrHg2Sb
_chemical_formula_sum   'Zr1 Hg2 Sb1'
_cell_volume   95.01
_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
  Hg  Hg1  1  0.25  0.03  0.2  1.0
  Hg  Hg2  1  0.59  0.74  0.2  1.0
  Sb  Sb3  1  0.42  0.38  0.0  1.0

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