data_Zr2ZnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnHg
_chemical_formula_sum   'Zr2 Zn1 Hg1'
_cell_volume   80.98
_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  0.54  0.05  0.61  1.0
  Zr  Zr3  1  0.54  0.95  0.61  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.08  0.0  0.0  1.0

data_Zr2ZnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   106.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnHg
_chemical_formula_sum   'Zr2 Zn1 Hg1'
_cell_volume   80.98
_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  0.61  0.54  0.05  1.0
  Zr  Zr1  1  0.61  0.54  0.95  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.08  0.0  1.0

Zr Zr Zn Hg