data_ZrNiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   5.58
_cell_angle_alpha   102.51
_cell_angle_beta   102.51
_cell_angle_gamma   40.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiHg2
_chemical_formula_sum   'Zr1 Ni1 Hg2'
_cell_volume   80.34
_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  0.49  0.0  0.62  1.0
  Ni  Ni2  1  0.81  0.0  0.5  1.0
  Hg  Hg0  1  0.02  0.0  0.07  1.0
  Hg  Hg1  1  0.16  0.0  0.97  1.0

data_ZrNiHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.77
_cell_length_c   5.58
_cell_angle_alpha   102.51
_cell_angle_beta   90.0
_cell_angle_gamma   110.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiHg2
_chemical_formula_sum   'Zr1 Ni1 Hg2'
_cell_volume   80.34
_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  0.51  0.38  1.0
  Ni  Ni1  1  0.0  0.19  0.5  1.0
  Hg  Hg2  1  0.0  0.84  0.03  1.0
  Hg  Hg3  1  0.0  0.98  0.93  1.0

Zr Ni Hg Hg