data_ZrSnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   153.25
_cell_angle_beta   153.25
_cell_angle_gamma   38.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnHg
_chemical_formula_sum   'Zr1 Sn1 Hg1'
_cell_volume   70.08
_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  Zr2  1  0.0  0.0  0.83  1.0
  Sn  Sn1  1  0.0  0.0  0.33  1.0
  Hg  Hg0  1  0.0  0.0  0.11  1.0

data_ZrSnHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   109.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrSnHg
_chemical_formula_sum   'Zr2 Sn2 Hg2'
_cell_volume   140.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.33  0.5  0.83  1.0
  Sn  Sn1  2  0.33  0.0  0.33  1.0
  Hg  Hg2  2  0.11  0.0  0.11  1.0

Zr Sn Hg