data_SiNi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.93
_cell_angle_alpha   99.05
_cell_angle_beta   99.05
_cell_angle_gamma   42.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNi2Hg
_chemical_formula_sum   'Si1 Ni2 Hg1'
_cell_volume   58.45
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.07  0.0  0.08  1.0
  Ni  Ni2  1  0.06  0.0  0.77  1.0
  Hg  Hg0  1  0.07  0.0  0.92  1.0

data_SiNi2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.83
_cell_length_c   5.93
_cell_angle_alpha   99.05
_cell_angle_beta   90.0
_cell_angle_gamma   111.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNi2Hg
_chemical_formula_sum   'Si1 Ni2 Hg1'
_cell_volume   58.45
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.93  0.92  1.0
  Ni  Ni2  1  0.0  0.94  0.23  1.0
  Hg  Hg3  1  0.0  0.93  0.08  1.0

Si Ni Ni Hg