data_NiHgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHgCl2
_chemical_formula_sum   'Ni1 Hg1 Cl2'
_cell_volume   90.81
_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
  Ni  Ni3  1  0.0  0.0  0.08  1.0
  Hg  Hg2  1  0.69  0.0  0.02  1.0
  Cl  Cl0  1  0.69  0.0  0.7  1.0
  Cl  Cl1  1  0.0  0.0  0.96  1.0

data_NiHgCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.58
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHgCl2
_chemical_formula_sum   'Ni1 Hg1 Cl2'
_cell_volume   90.81
_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
  Ni  Ni0  1  0.0  0.0  0.08  1.0
  Hg  Hg1  1  0.0  0.69  0.02  1.0
  Cl  Cl2  1  0.0  0.0  0.96  1.0
  Cl  Cl3  1  0.0  0.69  0.7  1.0

Ni Hg Cl Cl